1-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4/c1-3-12(2)13-4-6-14(7-5-13)17(22)11-20-10-16(21(24)25)8-15(9-19)18(20)23/h4-8,10,12H,3,11H2,1-2H3/t12-/m0/s1