(1-azanyl-1-oxidanylidene-propan-2-yl) 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O5/c1-10-4-3-7-18(9-10)13-6-5-12(8-14(13)19(22)23)16(21)24-11(2)15(17)20/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H2,17,20)