2-[(4-aminophenyl)carbonyl-(2,3-dinitrophenyl)amino]pentanedioic acid

Systemtic Name: 2-[(4-aminophenyl)carbonyl-(2,3-dinitrophenyl)amino]pentanedioic acid Openeye Name: 2-(N-(4-aminobenzoyl)-2,3-dinitro-anilino)pentanedioic acid CAS Name: 2-(N-[(4-aminophenyl)-oxomethyl]-2,3-dinitroanilino)pentanedioic acid IUPAC Name: 2-(N-(4-aminobenzoyl)-2,3-dinitroanilino)pentanedioic acid Traditional Name: 2-(N-(4-aminobenzoyl)-2,3-dinitro-anilino)glutaric acid Formula: C18H16N4O9 MolecularWeight: 432.34104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])N(C(CCC(=O)O)C(=O)O)C(=O)C2=CC=C(C=C2)N

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])N(C(CCC(=O)O)C(=O)O)C(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C18H16N4O9/c19-11-6-4-10(5-7-11)17(25)20(14(18(26)27)8-9-15(23)24)12-2-1-3-13(21(28)29)16(12)22(30)31/h1-7,14H,8-9,19H2,(H,23,24)(H,26,27)