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

Systemtic Name: ethyl 3-nitro-5-[[1-(phenylmethyl)piperidin-4-yl]carbamoyl]benzoate Openeye Name: ethyl 3-[(1-benzyl-4-piperidyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[[1-(phenylmethyl)-4-piperidinyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(1-benzylpiperidin-4-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(1-benzyl-4-piperidyl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-2-30-22(27)18-12-17(13-20(14-18)25(28)29)21(26)23-19-8-10-24(11-9-19)15-16-6-4-3-5-7-16/h3-7,12-14,19H,2,8-11,15H2,1H3,(H,23,26)