7-chloranyl-5-(4-nitrophenyl)-2-pyridin-3-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 7-chloranyl-5-(4-nitrophenyl)-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-chloro-5-(4-nitrophenyl)-2-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 7-chloro-5-(4-nitrophenyl)-2-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-chloro-5-(4-nitrophenyl)-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-chloro-5-(4-nitrophenyl)-2-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C19H12ClN5O2 MolecularWeight: 377.78388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NNC(=C3C=C(C=CC3=N2)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C2=NNC(=C3C=C(C=CC3=N2)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H12ClN5O2/c20-14-5-8-17-16(10-14)18(12-3-6-15(7-4-12)25(26)27)23-24-19(22-17)13-2-1-9-21-11-13/h1-11,23H