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

Systemtic Name: 2,4-dimethyl-2-(4-nitrophenyl)-1,3-dihydro-1,3,4-benzotriazepin-5-one Openeye Name: 2,4-dimethyl-2-(4-nitrophenyl)-1,3-dihydro-1,3,4-benzotriazepin-5-one CAS Name: 2,4-dimethyl-2-(4-nitrophenyl)-1,3-dihydro-1,3,4-benzotriazepin-5-one IUPAC Name: 2,4-dimethyl-2-(4-nitrophenyl)-1,3-dihydro-1,3,4-benzotriazepin-5-one Traditional Name: 2,4-dimethyl-2-(4-nitrophenyl)-1,3-dihydro-1,3,4-benzotriazepin-5-one Formula: C16H16N4O3 MolecularWeight: 312.32324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(NC2=CC=CC=C2C(=O)N(N1)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1(NC2=CC=CC=C2C(=O)N(N1)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O3/c1-16(11-7-9-12(10-8-11)20(22)23)17-14-6-4-3-5-13(14)15(21)19(2)18-16/h3-10,17-18H,1-2H3