2,6-bis[(2,4-dinitrophenyl)amino]heptanedioic acid

Systemtic Name: 2,6-bis[(2,4-dinitrophenyl)amino]heptanedioic acid Openeye Name: 2,6-bis(2,4-dinitroanilino)heptanedioic acid CAS Name: 2,6-bis(2,4-dinitroanilino)heptanedioic acid IUPAC Name: 2,6-bis(2,4-dinitroanilino)heptanedioic acid Traditional Name: 2,6-bis(2,4-dinitroanilino)pimelic acid Formula: C19H18N6O12 MolecularWeight: 522.37922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CCCC(C(=O)O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CCCC(C(=O)O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H18N6O12/c26-18(27)14(20-12-6-4-10(22(30)31)8-16(12)24(34)35)2-1-3-15(19(28)29)21-13-7-5-11(23(32)33)9-17(13)25(36)37/h4-9,14-15,20-21H,1-3H2,(H,26,27)(H,28,29)