(4E)-4-(5-dodecyl-1H-pyrimidin-2-ylidene)-2-nitro-cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-(5-dodecyl-1H-pyrimidin-2-ylidene)-2-nitro-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-(5-dodecyl-1H-pyrimidin-2-ylidene)-2-nitro-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-(5-dodecyl-1H-pyrimidin-2-ylidene)-2-nitro-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-(5-dodecyl-1H-pyrimidin-2-ylidene)-2-nitrocyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-(5-lauryl-1H-pyrimidin-2-ylidene)-2-nitro-cyclohexa-2,5-dien-1-one Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CNC(=C2C=CC(=O)C(=C2)[N+](=O)[O-])N=C1

Isomeric SMILES

CCCCCCCCCCCCC1=CN/C(=C\2/C=CC(=O)C(=C2)[N+](=O)[O-])/N=C1

InChI

InChI=1S/C22H31N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-18-16-23-22(24-17-18)19-13-14-21(26)20(15-19)25(27)28/h13-17,23H,2-12H2,1H3/b22-19+