2-(4-ethylphenyl)-7-methoxy-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-ethylphenyl)-7-methoxy-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-ethylphenyl)-7-methoxy-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-ethylphenyl)-7-methoxy-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-ethylphenyl)-7-methoxy-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-ethylphenyl)-7-methoxy-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)OC)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)OC)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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