methyl 5-nitro-2-[3-(phenylcarbamoyl)piperidin-1-yl]benzoate

Systemtic Name: methyl 5-nitro-2-[3-(phenylcarbamoyl)piperidin-1-yl]benzoate Openeye Name: methyl 5-nitro-2-[3-(phenylcarbamoyl)-1-piperidyl]benzoate CAS Name: 2-[3-[anilino(oxo)methyl]-1-piperidinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[3-(phenylcarbamoyl)piperidin-1-yl]benzoate Traditional Name: 5-nitro-2-[3-(phenylcarbamoyl)piperidino]benzoic acid methyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC(C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O5/c1-28-20(25)17-12-16(23(26)27)9-10-18(17)22-11-5-6-14(13-22)19(24)21-15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3,(H,21,24)