methyl 2-[(3-aminocarbonylpiperidin-1-yl)methyl]-3-nitro-benzoate

Systemtic Name: methyl 2-[(3-aminocarbonylpiperidin-1-yl)methyl]-3-nitro-benzoate Openeye Name: methyl 2-[(3-carbamoyl-1-piperidyl)methyl]-3-nitro-benzoate CAS Name: 2-[(3-carbamoyl-1-piperidinyl)methyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(3-carbamoylpiperidin-1-yl)methyl]-3-nitrobenzoate Traditional Name: 2-[(3-carbamoylpiperidino)methyl]-3-nitro-benzoic acid methyl ester Formula: C15H19N3O5 MolecularWeight: 321.32846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CN2CCCC(C2)C(=O)N

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CN2CCCC(C2)C(=O)N

InChI

InChI=1S/C15H19N3O5/c1-23-15(20)11-5-2-6-13(18(21)22)12(11)9-17-7-3-4-10(8-17)14(16)19/h2,5-6,10H,3-4,7-9H2,1H3,(H2,16,19)