1-ethyl-6-nitro-4-(phenylmethyl)-1,4-diazepane

Systemtic Name: 1-ethyl-6-nitro-4-(phenylmethyl)-1,4-diazepane Openeye Name: 1-benzyl-4-ethyl-6-nitro-1,4-diazepane CAS Name: 1-ethyl-6-nitro-4-(phenylmethyl)-1,4-diazepane IUPAC Name: 1-benzyl-4-ethyl-6-nitro-1,4-diazepane Traditional Name: 1-benzyl-4-ethyl-6-nitro-1,4-diazepane Formula: C14H21N3O2 MolecularWeight: 263.33544

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC(C1)[N+](=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CCN1CCN(CC(C1)[N+](=O)[O-])CC2=CC=CC=C2

InChI

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