2-[(E)-2-[1,3-dimethyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]ethenyl]quinoline-4-carboxylate

Systemtic Name: 2-[(E)-2-[1,3-dimethyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]ethenyl]quinoline-4-carboxylate Openeye Name: 2-[(E)-2-(1,3-dimethyl-2,4-dioxo-pyrimidin-5-yl)vinyl]quinoline-4-carboxylate CAS Name: 2-[(E)-2-(1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)ethenyl]-4-quinolinecarboxylate IUPAC Name: 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]quinoline-4-carboxylate Traditional Name: 2-[(E)-2-(2,4-diketo-1,3-dimethyl-pyrimidin-5-yl)vinyl]cinchoninate Formula: C18H14N3O4- MolecularWeight: 336.32146

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N(C1=O)C)C=CC2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

Isomeric SMILES

CN1C=C(C(=O)N(C1=O)C)/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

InChI

InChI=1S/C18H15N3O4/c1-20-10-11(16(22)21(2)18(20)25)7-8-12-9-14(17(23)24)13-5-3-4-6-15(13)19-12/h3-10H,1-2H3,(H,23,24)/p-1/b8-7+