(E)-4-[(3-cyanophenyl)methylamino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(3-cyanophenyl)methylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(3-cyanophenyl)methylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(3-cyanophenyl)methylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(3-cyanophenyl)methylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(3-cyanobenzyl)amino]-4-keto-but-2-enoic acid Formula: C12H10N2O3 MolecularWeight: 230.2194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O3/c13-7-9-2-1-3-10(6-9)8-14-11(15)4-5-12(16)17/h1-6H,8H2,(H,14,15)(H,16,17)/b5-4+