[4-[(E)-2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(methylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(E)-2-cyano-3-keto-3-(methylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(=CC1=CC(=C(C=C1)OC(=O)C2=CC=NC=C2)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4/c1-20-17(22)14(11-19)9-12-3-4-15(16(10-12)24-2)25-18(23)13-5-7-21-8-6-13/h3-10H,1-2H3,(H,20,22)/b14-9+