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

Systemtic Name: 4-[(E)-2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-cyano-3-(methylamino)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-cyano-3-keto-3-(methylamino)prop-1-enyl]benzoic acid Formula: C12H10N2O3 MolecularWeight: 230.2194

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C#N

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O3/c1-14-11(15)10(7-13)6-8-2-4-9(5-3-8)12(16)17/h2-6H,1H3,(H,14,15)(H,16,17)/b10-6+