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

Systemtic Name: 8-ethoxy-2-(4-nitrophenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Openeye Name: 8-ethoxy-2-(4-nitrophenyl)-4-(4-pyridyl)-1H-1,3,5-benzotriazepine CAS Name: 8-ethoxy-2-(4-nitrophenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-ethoxy-2-(4-nitrophenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-ethoxy-2-(4-nitrophenyl)-4-(4-pyridyl)-1H-1,3,5-benzotriazepine Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=NC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=NC=C4

InChI

InChI=1S/C21H17N5O3/c1-2-29-17-7-8-18-19(13-17)24-20(14-3-5-16(6-4-14)26(27)28)25-21(23-18)15-9-11-22-12-10-15/h3-13H,2H2,1H3,(H,23,24,25)