6-methyl-1-[(3-nitrophenyl)methyl]-1,4-diazepan-5-one

Systemtic Name: 6-methyl-1-[(3-nitrophenyl)methyl]-1,4-diazepan-5-one Openeye Name: 6-methyl-1-[(3-nitrophenyl)methyl]-1,4-diazepan-5-one CAS Name: 6-methyl-1-[(3-nitrophenyl)methyl]-1,4-diazepan-5-one IUPAC Name: 6-methyl-1-[(3-nitrophenyl)methyl]-1,4-diazepan-5-one Traditional Name: 6-methyl-1-(3-nitrobenzyl)-1,4-diazepan-5-one Formula: C13H17N3O3 MolecularWeight: 263.29238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCNC1=O)CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CCNC1=O)CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O3/c1-10-8-15(6-5-14-13(10)17)9-11-3-2-4-12(7-11)16(18)19/h2-4,7,10H,5-6,8-9H2,1H3,(H,14,17)