[4-methyl-2-[methyl-[2-[3-[(2-methylphenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl]oxy-5-nitro-phenyl]carbamoyl]-3-oxidanylidene-1-phenyl-pyrazolidin-4-yl]methyl 2-(benzotriazol-1-yl)ethanoate

Systemtic Name: [4-methyl-2-[methyl-[2-[3-[(2-methylphenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl]oxy-5-nitro-phenyl]carbamoyl]-3-oxidanylidene-1-phenyl-pyrazolidin-4-yl]methyl 2-(benzotriazol-1-yl)ethanoate Openeye Name: [2-[[2-[[4-hydroxy-3-(o-tolylcarbamoyl)-1-naphthyl]oxy]-5-nitro-phenyl]-methyl-carbamoyl]-4-methyl-3-oxo-1-phenyl-pyrazolidin-4-yl]methyl 2-(benzotriazol-1-yl)acetate CAS Name: 2-(1-benzotriazolyl)acetic acid [2-[[2-[[4-hydroxy-3-[(2-methylanilino)-oxomethyl]-1-naphthalenyl]oxy]-N-methyl-5-nitroanilino]-oxomethyl]-4-methyl-3-oxo-1-phenyl-4-pyrazolidinyl]methyl ester IUPAC Name: [2-[[2-[4-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl]oxy-5-nitrophenyl]-methylcarbamoyl]-4-methyl-3-oxo-1-phenylpyrazolidin-4-yl]methyl 2-(benzotriazol-1-yl)acetate Traditional Name: 2-(benzotriazol-1-yl)acetic acid [2-[[2-[4-hydroxy-3-(o-tolylcarbamoyl)-1-naphthoxy]-5-nitro-phenyl]-methyl-carbamoyl]-3-keto-4-methyl-1-phenyl-pyrazolidin-4-yl]methyl ester Formula: C45H38N8O9 MolecularWeight: 834.83142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3C(=C2)OC4=C(C=C(C=C4)[N+](=O)[O-])N(C)C(=O)N5C(=O)C(CN5C6=CC=CC=C6)(C)COC(=O)CN7C8=CC=CC=C8N=N7)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3C(=C2)OC4=C(C=C(C=C4)[N+](=O)[O-])N(C)C(=O)N5C(=O)C(CN5C6=CC=CC=C6)(C)COC(=O)CN7C8=CC=CC=C8N=N7)O

InChI

InChI=1S/C45H38N8O9/c1-28-13-7-10-18-34(28)46-42(56)33-24-39(31-16-8-9-17-32(31)41(33)55)62-38-22-21-30(53(59)60)23-37(38)49(3)44(58)52-43(57)45(2,26-51(52)29-14-5-4-6-15-29)27-61-40(54)25-50-36-20-12-11-19-35(36)47-48-50/h4-24,55H,25-27H2,1-3H3,(H,46,56)