methyl 4-[4-(benzamidomethyl)piperidin-1-yl]-3-nitro-benzoate

Systemtic Name: methyl 4-[4-(benzamidomethyl)piperidin-1-yl]-3-nitro-benzoate Openeye Name: methyl 4-[4-(benzamidomethyl)-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[4-(benzamidomethyl)-1-piperidinyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[4-(benzamidomethyl)piperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[4-(benzamidomethyl)piperidino]-3-nitro-benzoic acid methyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCC(CC2)CNC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCC(CC2)CNC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-29-21(26)17-7-8-18(19(13-17)24(27)28)23-11-9-15(10-12-23)14-22-20(25)16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,22,25)