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

Systemtic Name: [4-methyl-2-[methyl-[2-[3-[(2-methylphenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl]oxy-5-nitro-phenyl]carbamoyl]-1-(4-methylphenyl)-3-oxidanylidene-pyrazolidin-4-yl]methyl ethanoate Openeye Name: [2-[[2-[[4-hydroxy-3-(o-tolylcarbamoyl)-1-naphthyl]oxy]-5-nitro-phenyl]-methyl-carbamoyl]-4-methyl-3-oxo-1-(p-tolyl)pyrazolidin-4-yl]methyl acetate CAS Name: acetic acid [2-[[2-[[4-hydroxy-3-[(2-methylanilino)-oxomethyl]-1-naphthalenyl]oxy]-N-methyl-5-nitroanilino]-oxomethyl]-4-methyl-1-(4-methylphenyl)-3-oxo-4-pyrazolidinyl]methyl ester IUPAC Name: [2-[[2-[4-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl]oxy-5-nitrophenyl]-methylcarbamoyl]-4-methyl-1-(4-methylphenyl)-3-oxopyrazolidin-4-yl]methyl acetate Traditional Name: acetic acid [2-[[2-[4-hydroxy-3-(o-tolylcarbamoyl)-1-naphthoxy]-5-nitro-phenyl]-methyl-carbamoyl]-3-keto-4-methyl-1-(p-tolyl)pyrazolidin-4-yl]methyl ester Formula: C40H37N5O9 MolecularWeight: 731.74988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(C(=O)N2C(=O)N(C)C3=C(C=CC(=C3)[N+](=O)[O-])OC4=CC(=C(C5=CC=CC=C54)O)C(=O)NC6=CC=CC=C6C)(C)COC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2CC(C(=O)N2C(=O)N(C)C3=C(C=CC(=C3)[N+](=O)[O-])OC4=CC(=C(C5=CC=CC=C54)O)C(=O)NC6=CC=CC=C6C)(C)COC(=O)C

InChI

InChI=1S/C40H37N5O9/c1-24-14-16-27(17-15-24)43-22-40(4,23-53-26(3)46)38(49)44(43)39(50)42(5)33-20-28(45(51)52)18-19-34(33)54-35-21-31(36(47)30-12-8-7-11-29(30)35)37(48)41-32-13-9-6-10-25(32)2/h6-21,47H,22-23H2,1-5H3,(H,41,48)