(3S)-1-(4-chlorophenyl)carbonyl-3-(2-nitrophenoxy)azepan-2-one

Systemtic Name: (3S)-1-(4-chlorophenyl)carbonyl-3-(2-nitrophenoxy)azepan-2-one Openeye Name: (3S)-1-(4-chlorobenzoyl)-3-(2-nitrophenoxy)azepan-2-one CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-3-(2-nitrophenoxy)-2-azepanone IUPAC Name: (3S)-1-(4-chlorobenzoyl)-3-(2-nitrophenoxy)azepan-2-one Traditional Name: (3S)-1-(4-chlorobenzoyl)-3-(2-nitrophenoxy)azepan-2-one Formula: C19H17ClN2O5 MolecularWeight: 388.80168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)OC2=CC=CC=C2[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)OC2=CC=CC=C2[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H17ClN2O5/c20-14-10-8-13(9-11-14)18(23)21-12-4-3-7-17(19(21)24)27-16-6-2-1-5-15(16)22(25)26/h1-2,5-6,8-11,17H,3-4,7,12H2/t17-/m0/s1