2-[[1-(4-cyano-3-methyl-butan-2-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]benzoic acid

Systemtic Name: 2-[[1-(4-cyano-3-methyl-butan-2-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]benzoic acid Openeye Name: 2-[[1-(3-cyano-1,2-dimethyl-propyl)-2,5-dioxo-pyrrol-3-yl]amino]benzoic acid CAS Name: 2-[[1-(4-cyano-3-methylbutan-2-yl)-2,5-dioxo-3-pyrrolyl]amino]benzoic acid IUPAC Name: 2-[[1-(4-cyano-3-methylbutan-2-yl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid Traditional Name: 2-[[1-(3-cyano-1,2-dimethyl-propyl)-2,5-diketo-3-pyrrolin-3-yl]amino]benzoic acid Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#N)C(C)N1C(=O)C=C(C1=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(CC#N)C(C)N1C(=O)C=C(C1=O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H17N3O4/c1-10(7-8-18)11(2)20-15(21)9-14(16(20)22)19-13-6-4-3-5-12(13)17(23)24/h3-6,9-11,19H,7H2,1-2H3,(H,23,24)