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

Systemtic Name: 2-(4-bromophenyl)-7-ethyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-bromophenyl)-7-ethyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-bromophenyl)-7-ethyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-bromophenyl)-7-ethyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-bromophenyl)-7-ethyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Formula: C22H17BrN4O2 MolecularWeight: 449.29998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17BrN4O2/c1-2-14-3-12-20-19(13-14)21(15-6-10-18(11-7-15)27(28)29)25-26-22(24-20)16-4-8-17(23)9-5-16/h3-13,25H,2H2,1H3