methyl 3-nitro-5-[(2-piperidin-1-ylphenyl)carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[(2-piperidin-1-ylphenyl)carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[[2-(1-piperidyl)phenyl]carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[2-(1-piperidinyl)anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[(2-piperidin-1-ylphenyl)carbamoyl]benzoate Traditional Name: 3-nitro-5-[(2-piperidinophenyl)carbamoyl]benzoic acid methyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-28-20(25)15-11-14(12-16(13-15)23(26)27)19(24)21-17-7-3-4-8-18(17)22-9-5-2-6-10-22/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H,21,24)