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

Systemtic Name: methyl 1-[4-(cyclopropylamino)-3-nitro-phenyl]carbonyl-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[4-(cyclopropylamino)-3-nitro-benzoyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(cyclopropylamino)-3-nitrobenzoyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[4-(cyclopropylamino)-3-nitro-benzoyl]-4-phenyl-isonipecotic acid methyl ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O5/c1-31-22(28)23(17-5-3-2-4-6-17)11-13-25(14-12-23)21(27)16-7-10-19(24-18-8-9-18)20(15-16)26(29)30/h2-7,10,15,18,24H,8-9,11-14H2,1H3