3-azanyl-4-cyano-5-methyl-phthalic acid

Systemtic Name: 3-azanyl-4-cyano-5-methyl-phthalic acid Openeye Name: 3-amino-4-cyano-5-methyl-phthalic acid CAS Name: 3-amino-4-cyano-5-methylphthalic acid IUPAC Name: 3-amino-4-cyano-5-methylphthalic acid Traditional Name: 3-amino-4-cyano-5-methyl-phthalic acid Formula: C10H8N2O4 MolecularWeight: 220.18152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)O)C(=O)O)N)C#N

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)O)C(=O)O)N)C#N

InChI

InChI=1S/C10H8N2O4/c1-4-2-5(9(13)14)7(10(15)16)8(12)6(4)3-11/h2H,12H2,1H3,(H,13,14)(H,15,16)