ethyl 5-[(E)-3-oxidanylidene-3-(pyrrol-1-ylmethylamino)prop-1-enyl]pyridine-2-carboxylate

Systemtic Name: ethyl 5-[(E)-3-oxidanylidene-3-(pyrrol-1-ylmethylamino)prop-1-enyl]pyridine-2-carboxylate Openeye Name: ethyl 5-[(E)-3-oxo-3-(pyrrol-1-ylmethylamino)prop-1-enyl]pyridine-2-carboxylate CAS Name: 5-[(E)-3-oxo-3-(1-pyrrolylmethylamino)prop-1-enyl]-2-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-3-oxo-3-(pyrrol-1-ylmethylamino)prop-1-enyl]pyridine-2-carboxylate Traditional Name: 5-[(E)-3-keto-3-(pyrrol-1-ylmethylamino)prop-1-enyl]picolinic acid ethyl ester Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC=C(C=C1)C=CC(=O)NCN2C=CC=C2

Isomeric SMILES

CCOC(=O)C1=NC=C(C=C1)/C=C/C(=O)NCN2C=CC=C2

InChI

InChI=1S/C16H17N3O3/c1-2-22-16(21)14-7-5-13(11-17-14)6-8-15(20)18-12-19-9-3-4-10-19/h3-11H,2,12H2,1H3,(H,18,20)/b8-6+