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

Systemtic Name: 4-(4-nitrophenyl)-2-pyridin-4-yl-1H-1,3,5-benzotriazepine Openeye Name: 4-(4-nitrophenyl)-2-(4-pyridyl)-1H-1,3,5-benzotriazepine CAS Name: 4-(4-nitrophenyl)-2-pyridin-4-yl-1H-1,3,5-benzotriazepine IUPAC Name: 4-(4-nitrophenyl)-2-pyridin-4-yl-1H-1,3,5-benzotriazepine Traditional Name: 4-(4-nitrophenyl)-2-(4-pyridyl)-1H-1,3,5-benzotriazepine Formula: C19H13N5O2 MolecularWeight: 343.33882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=NC=C4

InChI

InChI=1S/C19H13N5O2/c25-24(26)15-7-5-13(6-8-15)18-21-16-3-1-2-4-17(16)22-19(23-18)14-9-11-20-12-10-14/h1-12H,(H,21,22,23)