7-chloranyl-2,4-dimethyl-2-(4-nitrophenyl)-1,3-dihydro-1,3,4-benzotriazepin-5-one

Systemtic Name: 7-chloranyl-2,4-dimethyl-2-(4-nitrophenyl)-1,3-dihydro-1,3,4-benzotriazepin-5-one Openeye Name: 7-chloro-2,4-dimethyl-2-(4-nitrophenyl)-1,3-dihydro-1,3,4-benzotriazepin-5-one CAS Name: 7-chloro-2,4-dimethyl-2-(4-nitrophenyl)-1,3-dihydro-1,3,4-benzotriazepin-5-one IUPAC Name: 7-chloro-2,4-dimethyl-2-(4-nitrophenyl)-1,3-dihydro-1,3,4-benzotriazepin-5-one Traditional Name: 7-chloro-2,4-dimethyl-2-(4-nitrophenyl)-1,3-dihydro-1,3,4-benzotriazepin-5-one Formula: C16H15ClN4O3 MolecularWeight: 346.7683

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Descriptors Computed from Structure

Canonical SMILES:

CC1(NC2=C(C=C(C=C2)Cl)C(=O)N(N1)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1(NC2=C(C=C(C=C2)Cl)C(=O)N(N1)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClN4O3/c1-16(10-3-6-12(7-4-10)21(23)24)18-14-8-5-11(17)9-13(14)15(22)20(2)19-16/h3-9,18-19H,1-2H3