2-cyano-2-(4-methoxycarbonylphenyl)aziridine-1-carboxylic acid

Systemtic Name: 2-cyano-2-(4-methoxycarbonylphenyl)aziridine-1-carboxylic acid Openeye Name: 2-cyano-2-(4-methoxycarbonylphenyl)aziridine-1-carboxylic acid CAS Name: 2-cyano-2-(4-methoxycarbonylphenyl)-1-aziridinecarboxylic acid IUPAC Name: 2-cyano-2-(4-methoxycarbonylphenyl)aziridine-1-carboxylic acid Traditional Name: 2-(4-carbomethoxyphenyl)-2-cyano-ethylenimine-1-carboxylic acid Formula: C12H10N2O4 MolecularWeight: 246.2188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2(CN2C(=O)O)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2(CN2C(=O)O)C#N

InChI

InChI=1S/C12H10N2O4/c1-18-10(15)8-2-4-9(5-3-8)12(6-13)7-14(12)11(16)17/h2-5H,7H2,1H3,(H,16,17)