1-[(2-methoxy-5-nitro-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2-methoxy-5-nitro-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-methoxy-5-nitro-phenyl)methyl]-1,4-diazepane CAS Name: 1-[(2-methoxy-5-nitrophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-methoxy-5-nitrophenyl)methyl]-1,4-diazepane Traditional Name: 1-(2-methoxy-5-nitro-benzyl)-1,4-diazepane Formula: C13H19N3O3 MolecularWeight: 265.30826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CN2CCCNCC2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CN2CCCNCC2

InChI

InChI=1S/C13H19N3O3/c1-19-13-4-3-12(16(17)18)9-11(13)10-15-7-2-5-14-6-8-15/h3-4,9,14H,2,5-8,10H2,1H3