benzotriazol-1-yl-[4-[(4-methylphenyl)amino]-3,5-dinitro-phenyl]methanone

Systemtic Name: benzotriazol-1-yl-[4-[(4-methylphenyl)amino]-3,5-dinitro-phenyl]methanone Openeye Name: benzotriazol-1-yl-[4-(4-methylanilino)-3,5-dinitro-phenyl]methanone CAS Name: 1-benzotriazolyl-[4-(4-methylanilino)-3,5-dinitrophenyl]methanone IUPAC Name: benzotriazol-1-yl-[4-(4-methylanilino)-3,5-dinitrophenyl]methanone Traditional Name: benzotriazol-1-yl-[3,5-dinitro-4-(p-toluidino)phenyl]methanone Formula: C20H14N6O5 MolecularWeight: 418.36236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3C4=CC=CC=C4N=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3C4=CC=CC=C4N=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H14N6O5/c1-12-6-8-14(9-7-12)21-19-17(25(28)29)10-13(11-18(19)26(30)31)20(27)24-16-5-3-2-4-15(16)22-23-24/h2-11,21H,1H3