N-butyl-N-(cyanomethyl)-3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide

Systemtic Name: N-butyl-N-(cyanomethyl)-3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide Openeye Name: N-butyl-N-(cyanomethyl)-3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]benzamide CAS Name: N-butyl-N-(cyanomethyl)-3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]benzamide IUPAC Name: N-butyl-N-(cyanomethyl)-3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide Traditional Name: N-butyl-N-(cyanomethyl)-4-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]-3-nitro-benzamide Formula: C26H29N5O5 MolecularWeight: 491.53896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC#N)C(=O)C1=CC(=C(C=C1)N2CCC(CC2)N3C4=CC=CC=C4COC3=O)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC#N)C(=O)C1=CC(=C(C=C1)N2CCC(CC2)N3C4=CC=CC=C4COC3=O)[N+](=O)[O-]

InChI

InChI=1S/C26H29N5O5/c1-2-3-13-29(16-12-27)25(32)19-8-9-23(24(17-19)31(34)35)28-14-10-21(11-15-28)30-22-7-5-4-6-20(22)18-36-26(30)33/h4-9,17,21H,2-3,10-11,13-16,18H2,1H3