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

Systemtic Name: ethyl 3-nitro-5-[4-(phenylcarbonyl)piperidin-1-yl]carbonyl-benzoate Openeye Name: ethyl 3-(4-benzoylpiperidine-1-carbonyl)-5-nitro-benzoate CAS Name: 3-[(4-benzoyl-1-piperidinyl)-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(4-benzoylpiperidine-1-carbonyl)-5-nitrobenzoate Traditional Name: 3-(4-benzoylpiperidine-1-carbonyl)-5-nitro-benzoic acid ethyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O6/c1-2-30-22(27)18-12-17(13-19(14-18)24(28)29)21(26)23-10-8-16(9-11-23)20(25)15-6-4-3-5-7-15/h3-7,12-14,16H,2,8-11H2,1H3