2-[3-(7-oxidanylidene-1,2-dihydrobenzo[g]indazol-3-yl)propanoylamino]benzoic acid

Systemtic Name: 2-[3-(7-oxidanylidene-1,2-dihydrobenzo[g]indazol-3-yl)propanoylamino]benzoic acid Openeye Name: 2-[3-(7-oxo-1,2-dihydrobenzo[g]indazol-3-yl)propanoylamino]benzoic acid CAS Name: 2-[[1-oxo-3-(7-oxo-1,2-dihydrobenzo[g]indazol-3-yl)propyl]amino]benzoic acid IUPAC Name: 2-[3-(7-oxo-1,2-dihydrobenzo[g]indazol-3-yl)propanoylamino]benzoic acid Traditional Name: 2-[3-(7-keto-1,2-dihydrobenz[g]indazol-3-yl)propanoylamino]benzoic acid Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=C3C=CC4=CC(=O)C=CC4=C3NN2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=C3C=CC4=CC(=O)C=CC4=C3NN2

InChI

InChI=1S/C21H17N3O4/c25-13-6-8-14-12(11-13)5-7-15-18(23-24-20(14)15)9-10-19(26)22-17-4-2-1-3-16(17)21(27)28/h1-8,11,23-24H,9-10H2,(H,22,26)(H,27,28)