[4-[naphthalen-2-ylsulfonyl-(3-nitrophenyl)carbonyl-amino]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[naphthalen-2-ylsulfonyl-(3-nitrophenyl)carbonyl-amino]phenyl] 3-nitrobenzoate Openeye Name: [4-[2-naphthylsulfonyl-(3-nitrobenzoyl)amino]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[2-naphthalenylsulfonyl-[(3-nitrophenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[naphthalen-2-ylsulfonyl-(3-nitrobenzoyl)amino]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[2-naphthylsulfonyl-(3-nitrobenzoyl)amino]phenyl] ester Formula: C30H19N3O9S MolecularWeight: 597.55156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N(C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N(C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H19N3O9S/c34-29(22-7-3-9-25(17-22)32(36)37)31(43(40,41)28-16-11-20-5-1-2-6-21(20)19-28)24-12-14-27(15-13-24)42-30(35)23-8-4-10-26(18-23)33(38)39/h1-19H