2-(4-bromophenyl)-7-methyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-bromophenyl)-7-methyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-bromophenyl)-7-methyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-bromophenyl)-7-methyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-bromophenyl)-7-methyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-bromophenyl)-7-methyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Formula: C21H15BrN4O2 MolecularWeight: 435.2734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15BrN4O2/c1-13-2-11-19-18(12-13)20(14-5-9-17(10-6-14)26(27)28)24-25-21(23-19)15-3-7-16(22)8-4-15/h2-12,24H,1H3