4-methanoyl-2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: 4-methanoyl-2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: 1-benzyl-4-formyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-formyl-2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylate IUPAC Name: 1-benzyl-4-formyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-benzyl-4-formyl-2,5-dimethyl-pyrrole-3-carboxylate Formula: C15H14NO3- MolecularWeight: 256.27656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)[O-])C=O

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)[O-])C=O

InChI

InChI=1S/C15H15NO3/c1-10-13(9-17)14(15(18)19)11(2)16(10)8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,18,19)/p-1