[2-[[4-(4-methylpiperidin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate

Systemtic Name: [2-[[4-(4-methylpiperidin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-[4-(4-methyl-1-piperidyl)anilino]-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-[4-(4-methyl-1-piperidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-keto-2-[4-(4-methylpiperidino)anilino]ethyl] ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H25N3O5/c1-15-10-12-24(13-11-15)18-8-6-17(7-9-18)23-21(26)14-30-22(27)19-4-3-5-20(16(19)2)25(28)29/h3-9,15H,10-14H2,1-2H3,(H,23,26)