N-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-N-propyl-benzamide

Systemtic Name: N-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-N-propyl-benzamide Openeye Name: N-[2-(2-methylanilino)-2-oxo-ethyl]-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-N-propyl-benzamide CAS Name: N-[2-(2-methylanilino)-2-oxoethyl]-4-[(3S)-3-methyl-1-piperidinyl]-3-nitro-N-propylbenzamide IUPAC Name: N-[2-(2-methylanilino)-2-oxoethyl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-N-propylbenzamide Traditional Name: N-[2-keto-2-(o-toluidino)ethyl]-4-[(3S)-3-methylpiperidino]-3-nitro-N-propyl-benzamide Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC(=C(C=C2)N3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC(=C(C=C2)N3CCC[C@@H](C3)C)[N+](=O)[O-]

InChI

InChI=1S/C25H32N4O4/c1-4-13-28(17-24(30)26-21-10-6-5-9-19(21)3)25(31)20-11-12-22(23(15-20)29(32)33)27-14-7-8-18(2)16-27/h5-6,9-12,15,18H,4,7-8,13-14,16-17H2,1-3H3,(H,26,30)/t18-/m0/s1