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

Systemtic Name: 7-chloranyl-2-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Openeye Name: 7-chloro-2-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine CAS Name: 7-chloro-2-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-chloro-2-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Traditional Name: 7-chloro-2-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Formula: C21H15ClN4O3 MolecularWeight: 406.8218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15ClN4O3/c1-29-17-9-4-14(5-10-17)21-23-19-11-6-15(22)12-18(19)20(24-25-21)13-2-7-16(8-3-13)26(27)28/h2-12,24H,1H3