azepan-1-yl-(2-chloranyl-5-nitro-phenyl)methanone

Systemtic Name: azepan-1-yl-(2-chloranyl-5-nitro-phenyl)methanone Openeye Name: azepan-1-yl-(2-chloro-5-nitro-phenyl)methanone CAS Name: 1-azepanyl-(2-chloro-5-nitrophenyl)methanone IUPAC Name: azepan-1-yl-(2-chloro-5-nitrophenyl)methanone Traditional Name: azepan-1-yl-(2-chloro-5-nitro-phenyl)methanone Formula: C13H15ClN2O3 MolecularWeight: 282.7228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H15ClN2O3/c14-12-6-5-10(16(18)19)9-11(12)13(17)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2