(E)-3-[3-[(5-azanyl-3-ethyl-2-methyl-6-oxidanylidene-1H-pyridin-4-yl)carbonyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[(5-azanyl-3-ethyl-2-methyl-6-oxidanylidene-1H-pyridin-4-yl)carbonyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(5-amino-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[(5-amino-3-ethyl-2-methyl-6-oxo-1H-pyridin-4-yl)-oxomethyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(5-amino-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(3-amino-5-ethyl-2-keto-6-methyl-1H-pyridine-4-carbonyl)phenyl]acrylic acid Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)C=CC(=O)O)N)C

Isomeric SMILES

CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)/C=C/C(=O)O)N)C

InChI

InChI=1S/C18H18N2O4/c1-3-13-10(2)20-18(24)16(19)15(13)17(23)12-6-4-5-11(9-12)7-8-14(21)22/h4-9H,3,19H2,1-2H3,(H,20,24)(H,21,22)/b8-7+