2-(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)-N-[1-(phenylmethyl)piperidin-4-yl]ethanamide

Systemtic Name: 2-(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)-N-[1-(phenylmethyl)piperidin-4-yl]ethanamide Openeye Name: N-(1-benzyl-4-piperidyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridyl)acetamide CAS Name: 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[1-(phenylmethyl)-4-piperidinyl]acetamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-(3-cyano-5-nitro-2-oxopyridin-1-yl)acetamide Traditional Name: N-(1-benzyl-4-piperidyl)-2-(3-cyano-2-keto-5-nitro-1-pyridyl)acetamide Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1NC(=O)CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O4/c21-11-16-10-18(25(28)29)13-24(20(16)27)14-19(26)22-17-6-8-23(9-7-17)12-15-4-2-1-3-5-15/h1-5,10,13,17H,6-9,12,14H2,(H,22,26)