ethyl 4-methyl-2-[(5-nitro-6-oxidanylidene-1H-pyrimidin-4-yl)oxymethyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(5-nitro-6-oxidanylidene-1H-pyrimidin-4-yl)oxymethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[(5-nitro-6-oxo-1H-pyrimidin-4-yl)oxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[(5-nitro-6-oxo-1H-pyrimidin-4-yl)oxymethyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(5-nitro-6-oxo-1H-pyrimidin-4-yl)oxymethyl]quinoline-3-carboxylate Traditional Name: 2-[(6-keto-5-nitro-1H-pyrimidin-4-yl)oxymethyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C18H16N4O6 MolecularWeight: 384.34284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC3=C(C(=O)NC=N3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC3=C(C(=O)NC=N3)[N+](=O)[O-])C

InChI

InChI=1S/C18H16N4O6/c1-3-27-18(24)14-10(2)11-6-4-5-7-12(11)21-13(14)8-28-17-15(22(25)26)16(23)19-9-20-17/h4-7,9H,3,8H2,1-2H3,(H,19,20,23)