1-[7-bromanyl-8-methoxy-4-methyl-1-(3-methyl-4-nitro-phenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]ethanone

Systemtic Name: 1-[7-bromanyl-8-methoxy-4-methyl-1-(3-methyl-4-nitro-phenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]ethanone Openeye Name: 1-[7-bromo-8-methoxy-4-methyl-1-(3-methyl-4-nitro-phenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]ethanone CAS Name: 1-[7-bromo-8-methoxy-4-methyl-1-(3-methyl-4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]ethanone IUPAC Name: 1-[7-bromo-8-methoxy-4-methyl-1-(3-methyl-4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]ethanone Traditional Name: 1-[7-bromo-8-methoxy-4-methyl-1-(3-methyl-4-nitro-phenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]ethanone Formula: C20H20BrN3O4 MolecularWeight: 446.2945

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC(=C(C=C2C(=NN1C(=O)C)C3=CC(=C(C=C3)[N+](=O)[O-])C)OC)Br

Isomeric SMILES

CC1CC2=CC(=C(C=C2C(=NN1C(=O)C)C3=CC(=C(C=C3)[N+](=O)[O-])C)OC)Br

InChI

InChI=1S/C20H20BrN3O4/c1-11-7-14(5-6-18(11)24(26)27)20-16-10-19(28-4)17(21)9-15(16)8-12(2)23(22-20)13(3)25/h5-7,9-10,12H,8H2,1-4H3