N,N-bis[(2R)-butan-2-yl]-2-(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)ethanamide

Systemtic Name: N,N-bis[(2R)-butan-2-yl]-2-(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)ethanamide Openeye Name: 2-(3-cyano-5-nitro-2-oxo-1-pyridyl)-N,N-bis[(1R)-1-methylpropyl]acetamide CAS Name: N,N-bis[(2R)-butan-2-yl]-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetamide IUPAC Name: N,N-bis[(2R)-butan-2-yl]-2-(3-cyano-5-nitro-2-oxopyridin-1-yl)acetamide Traditional Name: 2-(3-cyano-2-keto-5-nitro-1-pyridyl)-N,N-bis[(1R)-1-methylpropyl]acetamide Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C(C)CC)C(=O)CN1C=C(C=C(C1=O)C#N)[N+](=O)[O-]

Isomeric SMILES

CC[C@@H](C)N([C@H](C)CC)C(=O)CN1C=C(C=C(C1=O)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O4/c1-5-11(3)19(12(4)6-2)15(21)10-18-9-14(20(23)24)7-13(8-17)16(18)22/h7,9,11-12H,5-6,10H2,1-4H3/t11-,12-/m1/s1