methyl 5-nitro-2-(4-pyrrol-1-ylpiperidin-1-yl)benzoate

Systemtic Name: methyl 5-nitro-2-(4-pyrrol-1-ylpiperidin-1-yl)benzoate Openeye Name: methyl 5-nitro-2-(4-pyrrol-1-yl-1-piperidyl)benzoate CAS Name: 5-nitro-2-[4-(1-pyrrolyl)-1-piperidinyl]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-(4-pyrrol-1-ylpiperidin-1-yl)benzoate Traditional Name: 5-nitro-2-(4-pyrrol-1-ylpiperidino)benzoic acid methyl ester Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)N3C=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)N3C=CC=C3

InChI

InChI=1S/C17H19N3O4/c1-24-17(21)15-12-14(20(22)23)4-5-16(15)19-10-6-13(7-11-19)18-8-2-3-9-18/h2-5,8-9,12-13H,6-7,10-11H2,1H3