(6E)-6-(6-methyl-5-nitro-2-piperidin-1-yl-1H-pyrimidin-4-ylidene)cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-(6-methyl-5-nitro-2-piperidin-1-yl-1H-pyrimidin-4-ylidene)cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[6-methyl-5-nitro-2-(1-piperidyl)-1H-pyrimidin-4-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[6-methyl-5-nitro-2-(1-piperidinyl)-1H-pyrimidin-4-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-(6-methyl-5-nitro-2-piperidin-1-yl-1H-pyrimidin-4-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-(6-methyl-5-nitro-2-piperidino-1H-pyrimidin-4-ylidene)cyclohexa-2,4-dien-1-one Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=CC=CC2=O)N=C(N1)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(/C(=C\2/C=CC=CC2=O)/N=C(N1)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O3/c1-11-15(20(22)23)14(12-7-3-4-8-13(12)21)18-16(17-11)19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,17,18)/b14-12+