[4-[(4-fluorophenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]naphthalen-1-yl] 3-nitrobenzoate

Systemtic Name: [4-[(4-fluorophenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]naphthalen-1-yl] 3-nitrobenzoate Openeye Name: [4-[(4-fluorophenyl)sulfonyl-(3-nitrobenzoyl)amino]-1-naphthyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(4-fluorophenyl)sulfonyl-[(3-nitrophenyl)-oxomethyl]amino]-1-naphthalenyl] ester IUPAC Name: [4-[(4-fluorophenyl)sulfonyl-(3-nitrobenzoyl)amino]naphthalen-1-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(4-fluorophenyl)sulfonyl-(3-nitrobenzoyl)amino]-1-naphthyl] ester Formula: C30H18FN3O9S MolecularWeight: 615.542023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)C4=CC(=CC=C4)[N+](=O)[O-])S(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)C4=CC(=CC=C4)[N+](=O)[O-])S(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H18FN3O9S/c31-21-11-13-24(14-12-21)44(41,42)32(29(35)19-5-3-7-22(17-19)33(37)38)27-15-16-28(26-10-2-1-9-25(26)27)43-30(36)20-6-4-8-23(18-20)34(39)40/h1-18H