bis[(2,6-dinitrophenyl)methyl] 3,4-bis(azanyl)-5-methyl-benzene-1,2-dicarboxylate

Systemtic Name: bis[(2,6-dinitrophenyl)methyl] 3,4-bis(azanyl)-5-methyl-benzene-1,2-dicarboxylate Openeye Name: bis[(2,6-dinitrophenyl)methyl] 3,4-diamino-5-methyl-benzene-1,2-dicarboxylate CAS Name: 3,4-diamino-5-methylbenzene-1,2-dicarboxylic acid bis[(2,6-dinitrophenyl)methyl] ester IUPAC Name: bis[(2,6-dinitrophenyl)methyl] 3,4-diamino-5-methylbenzene-1,2-dicarboxylate Traditional Name: 3,4-diamino-5-methyl-benzene-1,2-dicarboxylic acid bis(2,6-dinitrobenzyl) ester Formula: C23H18N6O12 MolecularWeight: 570.42202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)OCC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC3=C(C=CC=C3[N+](=O)[O-])[N+](=O)[O-])N)N

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)OCC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC3=C(C=CC=C3[N+](=O)[O-])[N+](=O)[O-])N)N

InChI

InChI=1S/C23H18N6O12/c1-11-8-12(22(30)40-9-13-15(26(32)33)4-2-5-16(13)27(34)35)19(21(25)20(11)24)23(31)41-10-14-17(28(36)37)6-3-7-18(14)29(38)39/h2-8H,9-10,24-25H2,1H3