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

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-3,5-dinitro-phenyl)methanone Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-3,5-dinitro-phenyl)methanone CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-(2-methyl-3,5-dinitrophenyl)methanone IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-3,5-dinitrophenyl)methanone Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-(2-methyl-3,5-dinitro-phenyl)methanone Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=CC(=C3C)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=CC(=C3C)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C20H22N4O5/c1-13-5-4-6-18(14(13)2)21-7-9-22(10-8-21)20(25)17-11-16(23(26)27)12-19(15(17)3)24(28)29/h4-6,11-12H,7-10H2,1-3H3