[1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-keto-1-methyl-2-(4-morpholinoanilino)ethyl] ester Formula: C26H32N4O6 MolecularWeight: 496.55548

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C26H32N4O6/c1-18-4-3-11-29(17-18)23-10-5-20(16-24(23)30(33)34)26(32)36-19(2)25(31)27-21-6-8-22(9-7-21)28-12-14-35-15-13-28/h5-10,16,18-19H,3-4,11-15,17H2,1-2H3,(H,27,31)