3-methyl-1-(3-methyl-6-nitro-2,3,4,5-tetrahydro-1,5-benzodiazepin-1-yl)but-2-en-1-one

Systemtic Name: 3-methyl-1-(3-methyl-6-nitro-2,3,4,5-tetrahydro-1,5-benzodiazepin-1-yl)but-2-en-1-one Openeye Name: 3-methyl-1-(3-methyl-6-nitro-2,3,4,5-tetrahydro-1,5-benzodiazepin-1-yl)but-2-en-1-one CAS Name: 3-methyl-1-(3-methyl-6-nitro-2,3,4,5-tetrahydro-1,5-benzodiazepin-1-yl)-2-buten-1-one IUPAC Name: 3-methyl-1-(3-methyl-6-nitro-2,3,4,5-tetrahydro-1,5-benzodiazepin-1-yl)but-2-en-1-one Traditional Name: 3-methyl-1-(3-methyl-6-nitro-2,3,4,5-tetrahydro-1,5-benzodiazepin-1-yl)but-2-en-1-one Formula: C15H19N3O3 MolecularWeight: 289.32966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CNC2=C(C=CC=C2[N+](=O)[O-])N(C1)C(=O)C=C(C)C

Isomeric SMILES

CC1CNC2=C(C=CC=C2[N+](=O)[O-])N(C1)C(=O)C=C(C)C

InChI

InChI=1S/C15H19N3O3/c1-10(2)7-14(19)17-9-11(3)8-16-15-12(17)5-4-6-13(15)18(20)21/h4-7,11,16H,8-9H2,1-3H3