2-azanylpentanenitrile; 2,3-bis(oxidanyl)-2,3-bis(phenylcarbonyl)butanedioic acid

Systemtic Name: 2-azanylpentanenitrile; 2,3-bis(oxidanyl)-2,3-bis(phenylcarbonyl)butanedioic acid Openeye Name: 2-aminopentanenitrile; 2,3-dibenzoyl-2,3-dihydroxy-butanedioic acid CAS Name: 2-aminopentanenitrile; 2,3-dibenzoyl-2,3-dihydroxybutanedioic acid IUPAC Name: 2-aminopentanenitrile; 2,3-dibenzoyl-2,3-dihydroxybutanedioic acid Traditional Name: 2-aminovaleronitrile; 2,3-dibenzoyl-2,3-dihydroxy-succinic acid Formula: C23H24N2O8 MolecularWeight: 456.44526

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#N)N.C1=CC=C(C=C1)C(=O)C(C(=O)O)(C(C(=O)C2=CC=CC=C2)(C(=O)O)O)O

Isomeric SMILES

CCCC(C#N)N.C1=CC=C(C=C1)C(=O)C(C(=O)O)(C(C(=O)C2=CC=CC=C2)(C(=O)O)O)O

InChI

InChI=1S/C18H14O8.C5H10N2/c19-13(11-7-3-1-4-8-11)17(25,15(21)22)18(26,16(23)24)14(20)12-9-5-2-6-10-12;1-2-3-5(7)4-6/h1-10,25-26H,(H,21,22)(H,23,24);5H,2-3,7H2,1H3