2-[1-(2-diazanyl-2-oxidanylidene-ethyl)-2-methyl-3-(phenylmethyl)indol-7-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[1-(2-diazanyl-2-oxidanylidene-ethyl)-2-methyl-3-(phenylmethyl)indol-7-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3-benzyl-1-(2-hydrazino-2-oxo-ethyl)-2-methyl-indol-7-yl]-2-oxo-acetic acid CAS Name: 2-[1-(2-hydrazinyl-2-oxoethyl)-2-methyl-3-(phenylmethyl)-7-indolyl]-2-oxoacetic acid IUPAC Name: 2-[3-benzyl-1-(2-hydrazinyl-2-oxoethyl)-2-methylindol-7-yl]-2-oxoacetic acid Traditional Name: 2-[3-benzyl-1-(2-hydrazino-2-keto-ethyl)-2-methyl-indol-7-yl]-2-keto-acetic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)NN)C(=CC=C2)C(=O)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)NN)C(=CC=C2)C(=O)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O4/c1-12-16(10-13-6-3-2-4-7-13)14-8-5-9-15(19(25)20(26)27)18(14)23(12)11-17(24)22-21/h2-9H,10-11,21H2,1H3,(H,22,24)(H,26,27)