4-[3-[(E)-2-cyano-3-(cyclopropylamino)-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid

Systemtic Name: 4-[3-[(E)-2-cyano-3-(cyclopropylamino)-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 4-[3-[(E)-2-cyano-3-(cyclopropylamino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 4-[3-[(E)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 4-[3-[(E)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 4-[3-[(E)-2-cyano-3-(cyclopropylamino)-3-keto-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C20H19N3O3 MolecularWeight: 349.38316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=C(C#N)C(=O)NC3CC3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)/C=C(\C#N)/C(=O)NC3CC3

InChI

InChI=1S/C20H19N3O3/c1-12-9-15(10-16(11-21)19(24)22-17-5-6-17)13(2)23(12)18-7-3-14(4-8-18)20(25)26/h3-4,7-10,17H,5-6H2,1-2H3,(H,22,24)(H,25,26)/b16-10+