[4-[(2-methyl-5-nitro-phenyl)sulfonyl-(4-nitrophenyl)carbonyl-amino]naphthalen-1-yl] 4-nitrobenzoate

Systemtic Name: [4-[(2-methyl-5-nitro-phenyl)sulfonyl-(4-nitrophenyl)carbonyl-amino]naphthalen-1-yl] 4-nitrobenzoate Openeye Name: [4-[(2-methyl-5-nitro-phenyl)sulfonyl-(4-nitrobenzoyl)amino]-1-naphthyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(2-methyl-5-nitrophenyl)sulfonyl-[(4-nitrophenyl)-oxomethyl]amino]-1-naphthalenyl] ester IUPAC Name: [4-[(2-methyl-5-nitrophenyl)sulfonyl-(4-nitrobenzoyl)amino]naphthalen-1-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(2-methyl-5-nitro-phenyl)sulfonyl-(4-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)[N+](=O)[O-])S(=O)(=O)N(C2=CC=C(C3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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