1-[(4-methylphenyl)methyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[(4-methylphenyl)methyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 5-nitro-2-oxo-1-(p-tolylmethyl)pyridine-3-carbonitrile CAS Name: 1-[(4-methylphenyl)methyl]-5-nitro-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1-[(4-methylphenyl)methyl]-5-nitro-2-oxopyridine-3-carbonitrile Traditional Name: 2-keto-1-(4-methylbenzyl)-5-nitro-nicotinonitrile Formula: C14H11N3O3 MolecularWeight: 269.25544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O3/c1-10-2-4-11(5-3-10)8-16-9-13(17(19)20)6-12(7-15)14(16)18/h2-6,9H,8H2,1H3