methyl 3-[[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-[[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[[2-(4-methyl-1-piperidyl)-5-nitro-benzoyl]amino]-4-morpholino-benzoate CAS Name: 3-[[[2-(4-methyl-1-piperidinyl)-5-nitrophenyl]-oxomethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[[2-(4-methylpiperidino)-5-nitro-benzoyl]amino]-4-morpholino-benzoic acid methyl ester Formula: C25H30N4O6 MolecularWeight: 482.5289

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C=CC(=C3)C(=O)OC)N4CCOCC4

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C=CC(=C3)C(=O)OC)N4CCOCC4

InChI

InChI=1S/C25H30N4O6/c1-17-7-9-27(10-8-17)22-6-4-19(29(32)33)16-20(22)24(30)26-21-15-18(25(31)34-2)3-5-23(21)28-11-13-35-14-12-28/h3-6,15-17H,7-14H2,1-2H3,(H,26,30)