4-[(4-chlorophenyl)methyl]-2-[(2-methoxy-5-nitro-phenoxy)methyl]-1,2-oxazepane

Systemtic Name: 4-[(4-chlorophenyl)methyl]-2-[(2-methoxy-5-nitro-phenoxy)methyl]-1,2-oxazepane Openeye Name: 4-[(4-chlorophenyl)methyl]-2-[(2-methoxy-5-nitro-phenoxy)methyl]oxazepane CAS Name: 4-[(4-chlorophenyl)methyl]-2-[(2-methoxy-5-nitrophenoxy)methyl]oxazepane IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-[(2-methoxy-5-nitrophenoxy)methyl]oxazepane Traditional Name: 4-(4-chlorobenzyl)-2-[(2-methoxy-5-nitro-phenoxy)methyl]oxazepane Formula: C20H23ClN2O5 MolecularWeight: 406.86002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OCN2CC(CCCO2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])OCN2CC(CCCO2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN2O5/c1-26-19-9-8-18(23(24)25)12-20(19)27-14-22-13-16(3-2-10-28-22)11-15-4-6-17(21)7-5-15/h4-9,12,16H,2-3,10-11,13-14H2,1H3