ethyl 3-(3-methylpiperidin-1-yl)carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-(3-methylpiperidin-1-yl)carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-(3-methylpiperidine-1-carbonyl)-5-nitro-benzoate CAS Name: 3-[(3-methyl-1-piperidinyl)-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(3-methylpiperidine-1-carbonyl)-5-nitrobenzoate Traditional Name: 3-(3-methylpiperidine-1-carbonyl)-5-nitro-benzoic acid ethyl ester Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCCC(C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCCC(C2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O5/c1-3-23-16(20)13-7-12(8-14(9-13)18(21)22)15(19)17-6-4-5-11(2)10-17/h7-9,11H,3-6,10H2,1-2H3