methyl 5-nitro-2-[4-[(phenylmethyl)carbamoyl]piperidin-1-yl]benzoate

Systemtic Name: methyl 5-nitro-2-[4-[(phenylmethyl)carbamoyl]piperidin-1-yl]benzoate Openeye Name: methyl 2-[4-(benzylcarbamoyl)-1-piperidyl]-5-nitro-benzoate CAS Name: 5-nitro-2-[4-[oxo-[(phenylmethyl)amino]methyl]-1-piperidinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(benzylcarbamoyl)piperidin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-(benzylcarbamoyl)piperidino]-5-nitro-benzoic acid methyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

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