2-(4-tert-butylphenyl)-7-ethoxy-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-tert-butylphenyl)-7-ethoxy-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-tert-butylphenyl)-7-ethoxy-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-tert-butylphenyl)-7-ethoxy-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-tert-butylphenyl)-7-ethoxy-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-tert-butylphenyl)-7-ethoxy-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H26N4O3/c1-5-33-21-14-15-23-22(16-21)24(17-8-12-20(13-9-17)30(31)32)28-29-25(27-23)18-6-10-19(11-7-18)26(2,3)4/h6-16,28H,5H2,1-4H3