2-[8-bromanyl-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]cyclopropan-1-one

Systemtic Name: 2-[8-bromanyl-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]cyclopropan-1-one Openeye Name: 2-[8-bromo-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]cyclopropanone CAS Name: 2-[8-bromo-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-1-cyclopropanone IUPAC Name: 2-[8-bromo-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]cyclopropan-1-one Traditional Name: 2-[8-bromo-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]cyclopropanone Formula: C19H16BrN3O3 MolecularWeight: 414.25264

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C=C2)Br)C(=NN1C3CC3=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CC2=C(C=C(C=C2)Br)C(=NN1C3CC3=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H16BrN3O3/c1-11-8-13-2-5-14(20)9-16(13)19(21-22(11)17-10-18(17)24)12-3-6-15(7-4-12)23(25)26/h2-7,9,11,17H,8,10H2,1H3