methyl 2-[[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]amino]benzoate

Systemtic Name: methyl 2-[[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]amino]benzoate Openeye Name: methyl 2-[[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]amino]benzoate CAS Name: 2-[[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]amino]benzoate Traditional Name: 2-[[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]amino]benzoic acid methyl ester Formula: C12H11N3O3 MolecularWeight: 245.23404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC=C(C#N)C(=O)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1N/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C12H11N3O3/c1-18-12(17)9-4-2-3-5-10(9)15-7-8(6-13)11(14)16/h2-5,7,15H,1H3,(H2,14,16)/b8-7+