1-methyl-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]-1,4-diazepane

Systemtic Name: 1-methyl-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]-1,4-diazepane Openeye Name: 1-methyl-4-[[5-(2-nitrophenyl)-2-furyl]methyl]-1,4-diazepane CAS Name: 1-methyl-4-[[5-(2-nitrophenyl)-2-furanyl]methyl]-1,4-diazepane IUPAC Name: 1-methyl-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]-1,4-diazepane Traditional Name: 1-methyl-4-[[5-(2-nitrophenyl)-2-furyl]methyl]-1,4-diazepane Formula: C17H21N3O3 MolecularWeight: 315.36694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN1CCCN(CC1)CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O3/c1-18-9-4-10-19(12-11-18)13-14-7-8-17(23-14)15-5-2-3-6-16(15)20(21)22/h2-3,5-8H,4,9-13H2,1H3