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

Systemtic Name: [4-(2-methoxy-2-oxidanylidene-ethyl)phenyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [4-(2-methoxy-2-oxo-ethyl)phenyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [4-(2-methoxy-2-oxoethyl)phenyl] ester IUPAC Name: [4-(2-methoxy-2-oxoethyl)phenyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [4-(2-keto-2-methoxy-ethyl)phenyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6/c1-28-20(24)13-15-5-8-17(9-6-15)29-21(25)16-7-10-18(19(14-16)23(26)27)22-11-3-2-4-12-22/h5-10,14H,2-4,11-13H2,1H3