1-[(2-methyl-3-nitro-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2-methyl-3-nitro-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-methyl-3-nitro-phenyl)methyl]-1,4-diazepane CAS Name: 1-[(2-methyl-3-nitrophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-methyl-3-nitrophenyl)methyl]-1,4-diazepane Traditional Name: 1-(2-methyl-3-nitro-benzyl)-1,4-diazepane Formula: C13H19N3O2 MolecularWeight: 249.30886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CN2CCCNCC2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CN2CCCNCC2

InChI

InChI=1S/C13H19N3O2/c1-11-12(4-2-5-13(11)16(17)18)10-15-8-3-6-14-7-9-15/h2,4-5,14H,3,6-10H2,1H3