[4-[naphthalen-2-ylsulfonyl-(3-nitrophenyl)carbonyl-amino]naphthalen-1-yl] 3-nitrobenzoate

Systemtic Name: [4-[naphthalen-2-ylsulfonyl-(3-nitrophenyl)carbonyl-amino]naphthalen-1-yl] 3-nitrobenzoate Openeye Name: [4-[2-naphthylsulfonyl-(3-nitrobenzoyl)amino]-1-naphthyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[2-naphthalenylsulfonyl-[(3-nitrophenyl)-oxomethyl]amino]-1-naphthalenyl] ester IUPAC Name: [4-[naphthalen-2-ylsulfonyl-(3-nitrobenzoyl)amino]naphthalen-1-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[2-naphthylsulfonyl-(3-nitrobenzoyl)amino]-1-naphthyl] ester Formula: C34H21N3O9S MolecularWeight: 647.61024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N(C3=CC=C(C4=CC=CC=C43)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)C6=CC(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N(C3=CC=C(C4=CC=CC=C43)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)C6=CC(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C34H21N3O9S/c38-33(24-9-5-11-26(19-24)36(40)41)35(47(44,45)28-16-15-22-7-1-2-8-23(22)21-28)31-17-18-32(30-14-4-3-13-29(30)31)46-34(39)25-10-6-12-27(20-25)37(42)43/h1-21H