[2-(1,3-benzothiazol-2-yl)-4-[(3-nitrophenyl)carbonylamino]phenyl] 3-nitrobenzoate

Systemtic Name: [2-(1,3-benzothiazol-2-yl)-4-[(3-nitrophenyl)carbonylamino]phenyl] 3-nitrobenzoate Openeye Name: [2-(1,3-benzothiazol-2-yl)-4-[(3-nitrobenzoyl)amino]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(1,3-benzothiazol-2-yl)-4-[[(3-nitrophenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-yl)-4-[(3-nitrobenzoyl)amino]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(1,3-benzothiazol-2-yl)-4-[(3-nitrobenzoyl)amino]phenyl] ester Formula: C27H16N4O7S MolecularWeight: 540.50354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])OC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])OC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H16N4O7S/c32-25(16-5-3-7-19(13-16)30(34)35)28-18-11-12-23(38-27(33)17-6-4-8-20(14-17)31(36)37)21(15-18)26-29-22-9-1-2-10-24(22)39-26/h1-15H,(H,28,32)