benzotriazol-1-yl-[4-[(2,4-dimethylphenyl)amino]-3,5-dinitro-phenyl]methanone

Systemtic Name: benzotriazol-1-yl-[4-[(2,4-dimethylphenyl)amino]-3,5-dinitro-phenyl]methanone Openeye Name: benzotriazol-1-yl-[4-(2,4-dimethylanilino)-3,5-dinitro-phenyl]methanone CAS Name: 1-benzotriazolyl-[4-(2,4-dimethylanilino)-3,5-dinitrophenyl]methanone IUPAC Name: benzotriazol-1-yl-[4-(2,4-dimethylanilino)-3,5-dinitrophenyl]methanone Traditional Name: benzotriazol-1-yl-[4-(2,4-dimethylanilino)-3,5-dinitro-phenyl]methanone Formula: C21H16N6O5 MolecularWeight: 432.38894

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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-])C

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-])C

InChI

InChI=1S/C21H16N6O5/c1-12-7-8-15(13(2)9-12)22-20-18(26(29)30)10-14(11-19(20)27(31)32)21(28)25-17-6-4-3-5-16(17)23-24-25/h3-11,22H,1-2H3