3-azanylpentanenitrile; (2R,3R)-2,3-bis(phenylcarbonyloxy)butanedioic acid

Systemtic Name: 3-azanylpentanenitrile; (2R,3R)-2,3-bis(phenylcarbonyloxy)butanedioic acid Openeye Name: 3-aminopentanenitrile; (2R,3R)-2,3-dibenzoyloxybutanedioic acid CAS Name: 3-aminopentanenitrile; (2R,3R)-2,3-dibenzoyloxybutanedioic acid IUPAC Name: 3-aminopentanenitrile; (2R,3R)-2,3-dibenzoyloxybutanedioic acid Traditional Name: 3-aminovaleronitrile; (2R,3R)-2,3-dibenzoyloxysuccinic acid Formula: C28H34N4O8 MolecularWeight: 554.59156

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)N.CCC(CC#N)N.C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCC(CC#N)N.CCC(CC#N)N.C1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H14O8.2C5H10N2/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12;2*1-2-5(7)3-4-6/h1-10,13-14H,(H,19,20)(H,21,22);2*5H,2-3,7H2,1H3/t13-,14-;;/m1../s1