(2-oxidanylideneazepan-3-yl) 2-nitrobenzoate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 2-nitrobenzoate Openeye Name: (2-oxoazepan-3-yl) 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (2-ketoazepan-3-yl) ester Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CCNC(=O)C(C1)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O5/c16-12-11(7-3-4-8-14-12)20-13(17)9-5-1-2-6-10(9)15(18)19/h1-2,5-6,11H,3-4,7-8H2,(H,14,16)