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

Systemtic Name: 8-ethoxy-4-(4-methoxyphenyl)-2-(4-nitrophenyl)-1H-1,3,5-benzotriazepine Openeye Name: 8-ethoxy-4-(4-methoxyphenyl)-2-(4-nitrophenyl)-1H-1,3,5-benzotriazepine CAS Name: 8-ethoxy-4-(4-methoxyphenyl)-2-(4-nitrophenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 8-ethoxy-4-(4-methoxyphenyl)-2-(4-nitrophenyl)-1H-1,3,5-benzotriazepine Traditional Name: 8-ethoxy-4-(4-methoxyphenyl)-2-(4-nitrophenyl)-1H-1,3,5-benzotriazepine Formula: C23H20N4O4 MolecularWeight: 416.4293

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O4/c1-3-31-19-12-13-20-21(14-19)25-23(15-4-8-17(9-5-15)27(28)29)26-22(24-20)16-6-10-18(30-2)11-7-16/h4-14H,3H2,1-2H3,(H,24,25,26)