N-[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]-5-nitro-2-piperidin-1-yl-benzamide

Systemtic Name: N-[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[4-[2-(methylamino)-2-oxo-ethyl]phenyl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[4-[2-keto-2-(methylamino)ethyl]phenyl]-5-nitro-2-piperidino-benzamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CNC(=O)CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C21H24N4O4/c1-22-20(26)13-15-5-7-16(8-6-15)23-21(27)18-14-17(25(28)29)9-10-19(18)24-11-3-2-4-12-24/h5-10,14H,2-4,11-13H2,1H3,(H,22,26)(H,23,27)