methyl 1-[4-(cyclopropylamino)-3-nitro-phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[4-(cyclopropylamino)-3-nitro-phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-(cyclopropylamino)-3-nitro-benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(cyclopropylamino)-3-nitrobenzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(cyclopropylamino)-3-nitro-benzoyl]isonipecotic acid methyl ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5/c1-25-17(22)11-6-8-19(9-7-11)16(21)12-2-5-14(18-13-3-4-13)15(10-12)20(23)24/h2,5,10-11,13,18H,3-4,6-9H2,1H3