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

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-[(4-tert-butylphenyl)methyl]-5-nitro-2-oxo-pyridine-3-carbonitrile CAS Name: 1-[(4-tert-butylphenyl)methyl]-5-nitro-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-5-nitro-2-oxopyridine-3-carbonitrile Traditional Name: 1-(4-tert-butylbenzyl)-2-keto-5-nitro-nicotinonitrile Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3/c1-17(2,3)14-6-4-12(5-7-14)10-19-11-15(20(22)23)8-13(9-18)16(19)21/h4-8,11H,10H2,1-3H3