bicyclo[3.1.0]hexa-1(6),2,4-triene; 3-ethanoyl-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; 3-ethanoyl-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 3-acetyl-1-methyl-pyrrole-2-carboxylic acid; bicyclo[3.1.0]hexa-1(6),2,4-triene CAS Name: 3-acetyl-1-methyl-2-pyrrolecarboxylic acid; bicyclo[3.1.0]hexa-1(6),2,4-triene IUPAC Name: 3-acetyl-1-methylpyrrole-2-carboxylic acid; bicyclo[3.1.0]hexa-1(6),2,4-triene Traditional Name: 3-acetyl-1-methyl-pyrrole-2-carboxylic acid; bicyclo[3.1.0]hexa-1(6),2,4-triene Formula: C14H13NO3 MolecularWeight: 243.25792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(C=C1)C)C(=O)O.C1=CC2=CC2=C1

Isomeric SMILES

CC(=O)C1=C(N(C=C1)C)C(=O)O.C1=CC2=CC2=C1

InChI

InChI=1S/C8H9NO3.C6H4/c1-5(10)6-3-4-9(2)7(6)8(11)12;1-2-5-4-6(5)3-1/h3-4H,1-2H3,(H,11,12);1-4H