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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C3C=CC(=O)C=C3CCC2=C(N1)CCC(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

CN1C2=C3C=CC(=O)C=C3CCC2=C(N1)CCC(=O)NC4=CC=CC=C4C(=O)O

InChI

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