[2-[[4-(morpholin-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [2-[[4-(morpholin-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-[4-(morpholinomethyl)anilino]-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-[4-(4-morpholinylmethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-keto-2-[4-(morpholinomethyl)anilino]ethyl] ester Formula: C25H30N4O6 MolecularWeight: 482.5289

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)CN4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)CN4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H30N4O6/c30-24(26-21-7-4-19(5-8-21)17-27-12-14-34-15-13-27)18-35-25(31)20-6-9-22(23(16-20)29(32)33)28-10-2-1-3-11-28/h4-9,16H,1-3,10-15,17-18H2,(H,26,30)