(3S)-1-(4-chlorophenyl)carbonyl-3-(4-methoxy-2-nitro-phenoxy)azepan-2-one

Systemtic Name: (3S)-1-(4-chlorophenyl)carbonyl-3-(4-methoxy-2-nitro-phenoxy)azepan-2-one Openeye Name: (3S)-1-(4-chlorobenzoyl)-3-(4-methoxy-2-nitro-phenoxy)azepan-2-one CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-3-(4-methoxy-2-nitrophenoxy)-2-azepanone IUPAC Name: (3S)-1-(4-chlorobenzoyl)-3-(4-methoxy-2-nitrophenoxy)azepan-2-one Traditional Name: (3S)-1-(4-chlorobenzoyl)-3-(4-methoxy-2-nitro-phenoxy)azepan-2-one Formula: C20H19ClN2O6 MolecularWeight: 418.82766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)O[C@H]2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN2O6/c1-28-15-9-10-17(16(12-15)23(26)27)29-18-4-2-3-11-22(20(18)25)19(24)13-5-7-14(21)8-6-13/h5-10,12,18H,2-4,11H2,1H3/t18-/m0/s1