[1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid [2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C23H26N4O8 MolecularWeight: 486.47454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O8/c1-14-8-10-25(11-9-14)19-6-4-16(12-20(19)27(32)33)23(29)35-15(2)22(28)24-18-13-17(26(30)31)5-7-21(18)34-3/h4-7,12-15H,8-11H2,1-3H3,(H,24,28)