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

Systemtic Name: [4-[(3-nitrophenyl)carbonyl-(3-nitrophenyl)sulfonyl-amino]naphthalen-1-yl] 3-nitrobenzoate Openeye Name: [4-[(3-nitrobenzoyl)-(3-nitrophenyl)sulfonyl-amino]-1-naphthyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[[(3-nitrophenyl)-oxomethyl]-(3-nitrophenyl)sulfonylamino]-1-naphthalenyl] ester IUPAC Name: [4-[(3-nitrobenzoyl)-(3-nitrophenyl)sulfonylamino]naphthalen-1-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(3-nitrobenzoyl)-(3-nitrophenyl)sulfonyl-amino]-1-naphthyl] ester Formula: C30H18N4O11S MolecularWeight: 642.54912

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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=CC(=C5)[N+](=O)[O-]

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=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H18N4O11S/c35-29(19-6-3-8-21(16-19)32(37)38)31(46(43,44)24-11-5-10-23(18-24)34(41)42)27-14-15-28(26-13-2-1-12-25(26)27)45-30(36)20-7-4-9-22(17-20)33(39)40/h1-18H