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

Systemtic Name: 1-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-[2-(4-butylphenyl)-2-oxo-ethyl]-5-nitro-2-oxo-pyridine-3-carbonitrile CAS Name: 1-[2-(4-butylphenyl)-2-oxoethyl]-5-nitro-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1-[2-(4-butylphenyl)-2-oxoethyl]-5-nitro-2-oxopyridine-3-carbonitrile Traditional Name: 1-[2-(4-butylphenyl)-2-keto-ethyl]-2-keto-5-nitro-nicotinonitrile Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4/c1-2-3-4-13-5-7-14(8-6-13)17(22)12-20-11-16(21(24)25)9-15(10-19)18(20)23/h5-9,11H,2-4,12H2,1H3