1-(3-methyl-4-nitro-phenyl)-1,4-diazepane hydrochloride

Systemtic Name: 1-(3-methyl-4-nitro-phenyl)-1,4-diazepane hydrochloride Openeye Name: 1-(3-methyl-4-nitro-phenyl)-1,4-diazepane hydrochloride CAS Name: 1-(3-methyl-4-nitrophenyl)-1,4-diazepane hydrochloride IUPAC Name: 1-(3-methyl-4-nitrophenyl)-1,4-diazepane hydrochloride Traditional Name: 1-(3-methyl-4-nitro-phenyl)-1,4-diazepane hydrochloride Formula: C12H18ClN3O2 MolecularWeight: 271.74322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCNCC2)[N+](=O)[O-].Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCNCC2)[N+](=O)[O-].Cl

InChI

InChI=1S/C12H17N3O2.ClH/c1-10-9-11(3-4-12(10)15(16)17)14-7-2-5-13-6-8-14;/h3-4,9,13H,2,5-8H2,1H3;1H