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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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