3-[2-[(E)-2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2-[(E)-2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-[(E)-2-cyano-3-(methylamino)-3-oxo-prop-1-enyl]pyrrol-1-yl]benzoic acid CAS Name: 3-[2-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-[(E)-2-cyano-3-keto-3-(methylamino)prop-1-enyl]pyrrol-1-yl]benzoic acid Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(=CC1=CC=CN1C2=CC=CC(=C2)C(=O)O)C#N

Isomeric SMILES

CNC(=O)/C(=C/C1=CC=CN1C2=CC=CC(=C2)C(=O)O)/C#N

InChI

InChI=1S/C16H13N3O3/c1-18-15(20)12(10-17)9-14-6-3-7-19(14)13-5-2-4-11(8-13)16(21)22/h2-9H,1H3,(H,18,20)(H,21,22)/b12-9+