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

Systemtic Name: 8-ethyl-4-(4-methoxyphenyl)-2-(4-nitrophenyl)-1H-1,3,5-benzotriazepine Openeye Name: 8-ethyl-4-(4-methoxyphenyl)-2-(4-nitrophenyl)-1H-1,3,5-benzotriazepine CAS Name: 8-ethyl-4-(4-methoxyphenyl)-2-(4-nitrophenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 8-ethyl-4-(4-methoxyphenyl)-2-(4-nitrophenyl)-1H-1,3,5-benzotriazepine Traditional Name: 8-ethyl-4-(4-methoxyphenyl)-2-(4-nitrophenyl)-1H-1,3,5-benzotriazepine Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C23H20N4O3/c1-3-15-4-13-20-21(14-15)25-23(16-5-9-18(10-6-16)27(28)29)26-22(24-20)17-7-11-19(30-2)12-8-17/h4-14H,3H2,1-2H3,(H,24,25,26)