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

Systemtic Name: 5-nitro-2-oxidanylidene-1-[(4-propan-2-ylphenyl)methyl]pyridine-3-carbonitrile Openeye Name: 1-[(4-isopropylphenyl)methyl]-5-nitro-2-oxo-pyridine-3-carbonitrile CAS Name: 5-nitro-2-oxo-1-[(4-propan-2-ylphenyl)methyl]-3-pyridinecarbonitrile IUPAC Name: 5-nitro-2-oxo-1-[(4-propan-2-ylphenyl)methyl]pyridine-3-carbonitrile Traditional Name: 1-(4-isopropylbenzyl)-2-keto-5-nitro-nicotinonitrile Formula: C16H15N3O3 MolecularWeight: 297.3086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3/c1-11(2)13-5-3-12(4-6-13)9-18-10-15(19(21)22)7-14(8-17)16(18)20/h3-7,10-11H,9H2,1-2H3