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

Systemtic Name: N-(cyanomethyl)-N-methyl-3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide Openeye Name: N-(cyanomethyl)-N-methyl-3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]benzamide CAS Name: N-(cyanomethyl)-N-methyl-3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]benzamide IUPAC Name: N-(cyanomethyl)-N-methyl-3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide Traditional Name: N-(cyanomethyl)-4-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]-N-methyl-3-nitro-benzamide Formula: C23H23N5O5 MolecularWeight: 449.45922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O5/c1-25(13-10-24)22(29)16-6-7-20(21(14-16)28(31)32)26-11-8-18(9-12-26)27-19-5-3-2-4-17(19)15-33-23(27)30/h2-7,14,18H,8-9,11-13,15H2,1H3