(1-azanyl-1-oxidanylidene-propan-2-yl) 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)N)[N+](=O)[O-])C

InChI

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