2-[[3-nitro-4-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 2-[[3-nitro-4-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]phenyl]sulfonylamino]benzoic acid Openeye Name: 2-[[3-nitro-4-[2-(2-oxoindol-3-yl)hydrazino]phenyl]sulfonylamino]benzoic acid CAS Name: 2-[[3-nitro-4-[(2-oxo-3-indolyl)hydrazo]phenyl]sulfonylamino]benzoic acid IUPAC Name: 2-[[3-nitro-4-[2-(2-oxoindol-3-yl)hydrazinyl]phenyl]sulfonylamino]benzoic acid Traditional Name: 2-[[4-[N'-(2-ketoindol-3-yl)hydrazino]-3-nitro-phenyl]sulfonylamino]benzoic acid Formula: C21H15N5O7S MolecularWeight: 481.4381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)NNC3=C4C=CC=CC4=NC3=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)NNC3=C4C=CC=CC4=NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O7S/c27-20-19(13-5-1-3-7-15(13)22-20)24-23-17-10-9-12(11-18(17)26(30)31)34(32,33)25-16-8-4-2-6-14(16)21(28)29/h1-11,23,25H,(H,28,29)(H,22,24,27)