2-[[4-[(2E)-2-(cyclohexylmethylidene)hydrazinyl]-3-nitro-phenyl]sulfonylamino]benzoic acid

Systemtic Name: 2-[[4-[(2E)-2-(cyclohexylmethylidene)hydrazinyl]-3-nitro-phenyl]sulfonylamino]benzoic acid Openeye Name: 2-[[4-[(2E)-2-(cyclohexylmethylene)hydrazino]-3-nitro-phenyl]sulfonylamino]benzoic acid CAS Name: 2-[[4-[(2E)-2-(cyclohexylmethylidene)hydrazinyl]-3-nitrophenyl]sulfonylamino]benzoic acid IUPAC Name: 2-[[4-[(2E)-2-(cyclohexylmethylidene)hydrazinyl]-3-nitrophenyl]sulfonylamino]benzoic acid Traditional Name: 2-[[4-[(N'E)-N'-(cyclohexylmethylene)hydrazino]-3-nitro-phenyl]sulfonylamino]benzoic acid Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C=NNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)/C=N/NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O6S/c25-20(26)16-8-4-5-9-17(16)23-31(29,30)15-10-11-18(19(12-15)24(27)28)22-21-13-14-6-2-1-3-7-14/h4-5,8-14,22-23H,1-3,6-7H2,(H,25,26)/b21-13+