(4-methyl-1,4-diazepan-1-yl)-(2-methyl-3-nitro-phenyl)methanone

Systemtic Name: (4-methyl-1,4-diazepan-1-yl)-(2-methyl-3-nitro-phenyl)methanone Openeye Name: (4-methyl-1,4-diazepan-1-yl)-(2-methyl-3-nitro-phenyl)methanone CAS Name: (4-methyl-1,4-diazepan-1-yl)-(2-methyl-3-nitrophenyl)methanone IUPAC Name: (4-methyl-1,4-diazepan-1-yl)-(2-methyl-3-nitrophenyl)methanone Traditional Name: (4-methyl-1,4-diazepan-1-yl)-(2-methyl-3-nitro-phenyl)methanone Formula: C14H19N3O3 MolecularWeight: 277.31896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCCN(CC2)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCCN(CC2)C

InChI

InChI=1S/C14H19N3O3/c1-11-12(5-3-6-13(11)17(19)20)14(18)16-8-4-7-15(2)9-10-16/h3,5-6H,4,7-10H2,1-2H3