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

Systemtic Name: ethyl 3-(4-benzamidopiperidin-1-yl)carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-(4-benzamidopiperidine-1-carbonyl)-5-nitro-benzoate CAS Name: 3-[(4-benzamido-1-piperidinyl)-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(4-benzamidopiperidine-1-carbonyl)-5-nitrobenzoate Traditional Name: 3-(4-benzamidopiperidine-1-carbonyl)-5-nitro-benzoic acid ethyl ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O6/c1-2-31-22(28)17-12-16(13-19(14-17)25(29)30)21(27)24-10-8-18(9-11-24)23-20(26)15-6-4-3-5-7-15/h3-7,12-14,18H,2,8-11H2,1H3,(H,23,26)