methyl 1-[2-nitro-4-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-nitro-4-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxylate Openeye Name: methyl 1-[4-(isopropylcarbamoyl)-2-nitro-phenyl]piperidine-4-carboxylate CAS Name: 1-[2-nitro-4-[oxo-(propan-2-ylamino)methyl]phenyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-nitro-4-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxylate Traditional Name: 1-[4-(isopropylcarbamoyl)-2-nitro-phenyl]isonipecotic acid methyl ester Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5/c1-11(2)18-16(21)13-4-5-14(15(10-13)20(23)24)19-8-6-12(7-9-19)17(22)25-3/h4-5,10-12H,6-9H2,1-3H3,(H,18,21)