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

Systemtic Name: ethyl 3-nitro-5-[4-[(phenylmethyl)carbamoyl]piperidin-1-yl]carbonyl-benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 3-[4-(benzylcarbamoyl)piperidine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(benzylcarbamoyl)piperidine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O6/c1-2-32-23(29)19-12-18(13-20(14-19)26(30)31)22(28)25-10-8-17(9-11-25)21(27)24-15-16-6-4-3-5-7-16/h3-7,12-14,17H,2,8-11,15H2,1H3,(H,24,27)