(1-methoxy-1-oxidanylidene-propan-2-yl) 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: (1-methoxy-1-oxidanylidene-propan-2-yl) 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: (2-methoxy-1-methyl-2-oxo-ethyl) 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid (1-methoxy-1-oxopropan-2-yl) ester IUPAC Name: (1-methoxy-1-oxopropan-2-yl) 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid (2-keto-2-methoxy-1-methyl-ethyl) ester Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)OC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OC)OC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O6/c1-12(16(20)24-2)25-17(21)13-7-8-14(15(11-13)19(22)23)18-9-5-3-4-6-10-18/h7-8,11-12H,3-6,9-10H2,1-2H3