2-[(3-methylcinnolin-4-yl)amino]butanedioic acid

Systemtic Name: 2-[(3-methylcinnolin-4-yl)amino]butanedioic acid Openeye Name: 2-[(3-methylcinnolin-4-yl)amino]butanedioic acid CAS Name: 2-[(3-methyl-4-cinnolinyl)amino]butanedioic acid IUPAC Name: 2-[(3-methylcinnolin-4-yl)amino]butanedioic acid Traditional Name: 2-[(3-methylcinnolin-4-yl)amino]succinic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=N1)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=N1)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C13H13N3O4/c1-7-12(14-10(13(19)20)6-11(17)18)8-4-2-3-5-9(8)16-15-7/h2-5,10H,6H2,1H3,(H,14,16)(H,17,18)(H,19,20)