ethyl 3-nitro-5-(4-phenylpiperidin-1-yl)carbonyl-benzoate

Systemtic Name: ethyl 3-nitro-5-(4-phenylpiperidin-1-yl)carbonyl-benzoate Openeye Name: ethyl 3-nitro-5-(4-phenylpiperidine-1-carbonyl)benzoate CAS Name: 3-nitro-5-[oxo-(4-phenyl-1-piperidinyl)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-(4-phenylpiperidine-1-carbonyl)benzoate Traditional Name: 3-nitro-5-(4-phenylpiperidine-1-carbonyl)benzoic acid ethyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5/c1-2-28-21(25)18-12-17(13-19(14-18)23(26)27)20(24)22-10-8-16(9-11-22)15-6-4-3-5-7-15/h3-7,12-14,16H,2,8-11H2,1H3