1-ethyl-6-[(3-nitrophenyl)methyl]-1,4-diazepane

Systemtic Name: 1-ethyl-6-[(3-nitrophenyl)methyl]-1,4-diazepane Openeye Name: 1-ethyl-6-[(3-nitrophenyl)methyl]-1,4-diazepane CAS Name: 1-ethyl-6-[(3-nitrophenyl)methyl]-1,4-diazepane IUPAC Name: 1-ethyl-6-[(3-nitrophenyl)methyl]-1,4-diazepane Traditional Name: 1-ethyl-6-(3-nitrobenzyl)-1,4-diazepane Formula: C14H21N3O2 MolecularWeight: 263.33544

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCNCC(C1)CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCN1CCNCC(C1)CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O2/c1-2-16-7-6-15-10-13(11-16)8-12-4-3-5-14(9-12)17(18)19/h3-5,9,13,15H,2,6-8,10-11H2,1H3