2-[3-(2-methyl-7-oxidanylidene-4,5-dihydro-1H-benzo[g]indazol-3-yl)propanoylamino]benzoic acid

Systemtic Name: 2-[3-(2-methyl-7-oxidanylidene-4,5-dihydro-1H-benzo[g]indazol-3-yl)propanoylamino]benzoic acid Openeye Name: 2-[3-(2-methyl-7-oxo-4,5-dihydro-1H-benzo[g]indazol-3-yl)propanoylamino]benzoic acid CAS Name: 2-[[3-(2-methyl-7-oxo-4,5-dihydro-1H-benzo[g]indazol-3-yl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[3-(2-methyl-7-oxo-4,5-dihydro-1H-benzo[g]indazol-3-yl)propanoylamino]benzoic acid Traditional Name: 2-[3-(7-keto-2-methyl-4,5-dihydro-1H-benz[g]indazol-3-yl)propanoylamino]benzoic acid Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2CCC3=CC(=O)C=CC3=C2N1)CCC(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

CN1C(=C2CCC3=CC(=O)C=CC3=C2N1)CCC(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H21N3O4/c1-25-19(10-11-20(27)23-18-5-3-2-4-16(18)22(28)29)17-8-6-13-12-14(26)7-9-15(13)21(17)24-25/h2-5,7,9,12,24H,6,8,10-11H2,1H3,(H,23,27)(H,28,29)