6-[C-(3,4-diaminocarbonylphenyl)carbonimidoyl]-2,3-bis(2-hydroxyethylcarbamoyl)benzoic acid

Systemtic Name: 6-[C-(3,4-diaminocarbonylphenyl)carbonimidoyl]-2,3-bis(2-hydroxyethylcarbamoyl)benzoic acid Openeye Name: 6-(3,4-dicarbamoylbenzenecarboximidoyl)-2,3-bis(2-hydroxyethylcarbamoyl)benzoic acid CAS Name: 6-[(3,4-dicarbamoylphenyl)-iminomethyl]-2,3-bis[(2-hydroxyethylamino)-oxomethyl]benzoic acid IUPAC Name: 6-(3,4-dicarbamoylbenzenecarboximidoyl)-2,3-bis(2-hydroxyethylcarbamoyl)benzoic acid Traditional Name: 6-(3,4-dicarbamoylbenzimidoyl)-2,3-bis(2-hydroxyethylcarbamoyl)benzoic acid Formula: C22H23N5O8 MolecularWeight: 485.44672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=N)C2=C(C(=C(C=C2)C(=O)NCCO)C(=O)NCCO)C(=O)O)C(=O)N)C(=O)N

Isomeric SMILES

C1=CC(=C(C=C1C(=N)C2=C(C(=C(C=C2)C(=O)NCCO)C(=O)NCCO)C(=O)O)C(=O)N)C(=O)N

InChI

InChI=1S/C22H23N5O8/c23-17(10-1-2-11(18(24)30)14(9-10)19(25)31)12-3-4-13(20(32)26-5-7-28)15(16(12)22(34)35)21(33)27-6-8-29/h1-4,9,23,28-29H,5-8H2,(H2,24,30)(H2,25,31)(H,26,32)(H,27,33)(H,34,35)