(E)-4-[(3-methylphenyl)-(pyridin-3-ylmethyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(3-methylphenyl)-(pyridin-3-ylmethyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[3-methyl-N-(3-pyridylmethyl)anilino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[3-methyl-N-(3-pyridinylmethyl)anilino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[3-methyl-N-(pyridin-3-ylmethyl)anilino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[3-methyl-N-(3-pyridylmethyl)anilino]but-2-enoic acid Formula: C17H16N2O3 MolecularWeight: 296.32054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CN=CC=C2)C(=O)C=CC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CN=CC=C2)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C17H16N2O3/c1-13-4-2-6-15(10-13)19(16(20)7-8-17(21)22)12-14-5-3-9-18-11-14/h2-11H,12H2,1H3,(H,21,22)/b8-7+