ethanedioic acid; 2-[1-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-yl]ethanenitrile

Systemtic Name: ethanedioic acid; 2-[1-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-yl]ethanenitrile Openeye Name: 2-[1-methyl-5-(3-methylisoxazol-5-yl)pyrrolidin-2-yl]acetonitrile; oxalic acid CAS Name: 2-[1-methyl-5-(3-methyl-5-isoxazolyl)-2-pyrrolidinyl]acetonitrile; oxalic acid IUPAC Name: 2-[1-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-yl]acetonitrile; oxalic acid Traditional Name: 2-[1-methyl-5-(3-methylisoxazol-5-yl)pyrrolidin-2-yl]acetonitrile; oxalic acid Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C2CCC(N2C)CC#N.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NOC(=C1)C2CCC(N2C)CC#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H15N3O.C2H2O4/c1-8-7-11(15-13-8)10-4-3-9(5-6-12)14(10)2;3-1(4)2(5)6/h7,9-10H,3-5H2,1-2H3;(H,3,4)(H,5,6)