N1,N3-bis(4-methylphenyl)-4,6-dinitro-benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis(4-methylphenyl)-4,6-dinitro-benzene-1,3-dicarboxamide Openeye Name: 4,6-dinitro-N1,N3-bis(p-tolyl)benzene-1,3-dicarboxamide CAS Name: N1,N3-bis(4-methylphenyl)-4,6-dinitrobenzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis(4-methylphenyl)-4,6-dinitrobenzene-1,3-dicarboxamide Traditional Name: 4,6-dinitro-N,N'-bis(p-tolyl)isophthalamide Formula: C22H18N4O6 MolecularWeight: 434.40152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)C

InChI

InChI=1S/C22H18N4O6/c1-13-3-7-15(8-4-13)23-21(27)17-11-18(20(26(31)32)12-19(17)25(29)30)22(28)24-16-9-5-14(2)6-10-16/h3-12H,1-2H3,(H,23,27)(H,24,28)