2-(4-methoxyphenyl)-7-methyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-methoxyphenyl)-7-methyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-methoxyphenyl)-7-methyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-methoxyphenyl)-7-methyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-methoxyphenyl)-7-methyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-methoxyphenyl)-7-methyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O3/c1-14-3-12-20-19(13-14)21(15-4-8-17(9-5-15)26(27)28)24-25-22(23-20)16-6-10-18(29-2)11-7-16/h3-13,24H,1-2H3