[4-[(4-methyl-3-nitro-phenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]naphthalen-1-yl] 3-nitrobenzoate

Systemtic Name: [4-[(4-methyl-3-nitro-phenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]naphthalen-1-yl] 3-nitrobenzoate Openeye Name: [4-[(4-methyl-3-nitro-phenyl)sulfonyl-(3-nitrobenzoyl)amino]-1-naphthyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(4-methyl-3-nitrophenyl)sulfonyl-[(3-nitrophenyl)-oxomethyl]amino]-1-naphthalenyl] ester IUPAC Name: [4-[(4-methyl-3-nitrophenyl)sulfonyl-(3-nitrobenzoyl)amino]naphthalen-1-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(4-methyl-3-nitro-phenyl)sulfonyl-(3-nitrobenzoyl)amino]-1-naphthyl] ester Formula: C31H20N4O11S MolecularWeight: 656.5757

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C2=CC=C(C3=CC=CC=C32)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C5=CC(=CC=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C2=CC=C(C3=CC=CC=C32)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C5=CC(=CC=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C31H20N4O11S/c1-19-12-13-24(18-28(19)35(42)43)47(44,45)32(30(36)20-6-4-8-22(16-20)33(38)39)27-14-15-29(26-11-3-2-10-25(26)27)46-31(37)21-7-5-9-23(17-21)34(40)41/h2-18H,1H3