5-[[3-[(3,5-dicarboxyphenyl)carbamoyl]-5-nitro-phenyl]carbonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[3-[(3,5-dicarboxyphenyl)carbamoyl]-5-nitro-phenyl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[3-[(3,5-dicarboxyphenyl)carbamoyl]-5-nitro-benzoyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[3-[(3,5-dicarboxyanilino)-oxomethyl]-5-nitrophenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[3-[(3,5-dicarboxyphenyl)carbamoyl]-5-nitrobenzoyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[3-[(3,5-dicarboxyphenyl)carbamoyl]-5-nitro-benzoyl]amino]isophthalic acid Formula: C24H15N3O12 MolecularWeight: 537.3888

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)O)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(=O)O)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C24H15N3O12/c28-19(25-16-4-12(21(30)31)2-13(5-16)22(32)33)10-1-11(9-18(8-10)27(38)39)20(29)26-17-6-14(23(34)35)3-15(7-17)24(36)37/h1-9H,(H,25,28)(H,26,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37)