2-[[2-[(2-methoxyphenyl)amino]-5-nitro-phenyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone

Systemtic Name: 2-[[2-[(2-methoxyphenyl)amino]-5-nitro-phenyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone Openeye Name: 2-[2-(2-methoxyanilino)-5-nitro-anilino]-1-[(3S)-3-methyl-1-piperidyl]ethanone CAS Name: 2-[2-(2-methoxyanilino)-5-nitroanilino]-1-[(3S)-3-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[2-(2-methoxyanilino)-5-nitroanilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone Traditional Name: 1-[(3S)-3-methylpiperidino]-2-[5-nitro-2-(o-anisidino)anilino]ethanone Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CNC2=C(C=CC(=C2)[N+](=O)[O-])NC3=CC=CC=C3OC

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CNC2=C(C=CC(=C2)[N+](=O)[O-])NC3=CC=CC=C3OC

InChI

InChI=1S/C21H26N4O4/c1-15-6-5-11-24(14-15)21(26)13-22-19-12-16(25(27)28)9-10-17(19)23-18-7-3-4-8-20(18)29-2/h3-4,7-10,12,15,22-23H,5-6,11,13-14H2,1-2H3/t15-/m0/s1