N-(1,5-dimethyl-3-methylidene-2-phenyl-pyrazol-4-yl)-5,7-dinitro-quinolin-8-amine

Systemtic Name: N-(1,5-dimethyl-3-methylidene-2-phenyl-pyrazol-4-yl)-5,7-dinitro-quinolin-8-amine Openeye Name: N-(1,5-dimethyl-3-methylene-2-phenyl-pyrazol-4-yl)-5,7-dinitro-quinolin-8-amine CAS Name: N-(1,5-dimethyl-3-methylene-2-phenyl-4-pyrazolyl)-5,7-dinitro-8-quinolinamine IUPAC Name: N-(1,5-dimethyl-3-methylidene-2-phenylpyrazol-4-yl)-5,7-dinitroquinolin-8-amine Traditional Name: (1,5-dimethyl-3-methylene-2-phenyl-3-pyrazolin-4-yl)-(5,7-dinitro-8-quinolyl)amine Formula: C21H18N6O4 MolecularWeight: 418.40542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C)N(N1C)C2=CC=CC=C2)NC3=C(C=C(C4=C3N=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C)N(N1C)C2=CC=CC=C2)NC3=C(C=C(C4=C3N=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O4/c1-13-19(14(2)25(24(13)3)15-8-5-4-6-9-15)23-21-18(27(30)31)12-17(26(28)29)16-10-7-11-22-20(16)21/h4-12,23H,2H2,1,3H3