(2-oxidanylideneazepan-3-yl) 2-chloranyl-4-nitro-benzoate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 2-chloranyl-4-nitro-benzoate Openeye Name: (2-oxoazepan-3-yl) 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid (2-ketoazepan-3-yl) ester Formula: C13H13ClN2O5 MolecularWeight: 312.70572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN2O5/c14-10-7-8(16(19)20)4-5-9(10)13(18)21-11-3-1-2-6-15-12(11)17/h4-5,7,11H,1-3,6H2,(H,15,17)