methyl 3-nitro-5-[4-[(phenylmethyl)carbamoyl]piperidin-1-yl]carbonyl-benzoate

Systemtic Name: methyl 3-nitro-5-[4-[(phenylmethyl)carbamoyl]piperidin-1-yl]carbonyl-benzoate Openeye Name: methyl 3-[4-(benzylcarbamoyl)piperidine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[4-[oxo-[(phenylmethyl)amino]methyl]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(benzylcarbamoyl)piperidine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(benzylcarbamoyl)piperidine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O6/c1-31-22(28)18-11-17(12-19(13-18)25(29)30)21(27)24-9-7-16(8-10-24)20(26)23-14-15-5-3-2-4-6-15/h2-6,11-13,16H,7-10,14H2,1H3,(H,23,26)