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

Systemtic Name: 2-[[1-(2-cyano-3-methyl-butan-2-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]benzoic acid Openeye Name: 2-[[1-(1-cyano-1,2-dimethyl-propyl)-2,5-dioxo-pyrrol-3-yl]amino]benzoic acid CAS Name: 2-[[1-(2-cyano-3-methylbutan-2-yl)-2,5-dioxo-3-pyrrolyl]amino]benzoic acid IUPAC Name: 2-[[1-(2-cyano-3-methylbutan-2-yl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid Traditional Name: 2-[[1-(1-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(C)C(C)(C#N)N1C(=O)C=C(C1=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4/c1-10(2)17(3,9-18)20-14(21)8-13(15(20)22)19-12-7-5-4-6-11(12)16(23)24/h4-8,10,19H,1-3H3,(H,23,24)