[2-[[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-naphthalen-1-yl-amino]methyl]phenyl] 4-nitrobenzoate

Systemtic Name: [2-[[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-naphthalen-1-yl-amino]methyl]phenyl] 4-nitrobenzoate Openeye Name: [2-[[(1,1-dioxo-1,2-benzothiazol-3-yl)-(1-naphthyl)amino]methyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[[(1,1-dioxo-1,2-benzothiazol-3-yl)-(1-naphthalenyl)amino]methyl]phenyl] ester IUPAC Name: [2-[[(1,1-dioxo-1,2-benzothiazol-3-yl)-naphthalen-1-ylamino]methyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[[(1,1-diketo-1,2-benzothiazol-3-yl)-(1-naphthyl)amino]methyl]phenyl] ester Formula: C31H21N3O6S MolecularWeight: 563.57994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N(CC3=CC=CC=C3OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=NS(=O)(=O)C6=CC=CC=C65

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N(CC3=CC=CC=C3OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=NS(=O)(=O)C6=CC=CC=C65

InChI

InChI=1S/C31H21N3O6S/c35-31(22-16-18-24(19-17-22)34(36)37)40-28-14-5-2-9-23(28)20-33(27-13-7-10-21-8-1-3-11-25(21)27)30-26-12-4-6-15-29(26)41(38,39)32-30/h1-19H,20H2