5-methyl-3-[(E)-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]-4-(phenylcarbonyloxy)-1H-pyrrole-2-carboxylic acid

Systemtic Name: 5-methyl-3-[(E)-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]-4-(phenylcarbonyloxy)-1H-pyrrole-2-carboxylic acid Openeye Name: 3-[(E)-3-anilino-3-oxo-prop-1-enyl]-4-benzoyloxy-5-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 3-[(E)-3-anilino-3-oxoprop-1-enyl]-4-benzoyloxy-5-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 3-[(E)-3-anilino-3-oxoprop-1-enyl]-4-benzoyloxy-5-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 3-[(E)-3-anilino-3-keto-prop-1-enyl]-4-benzoyloxy-5-methyl-1H-pyrrole-2-carboxylic acid Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C(=O)O)C=CC(=O)NC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(N1)C(=O)O)/C=C/C(=O)NC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H18N2O5/c1-14-20(29-22(28)15-8-4-2-5-9-15)17(19(23-14)21(26)27)12-13-18(25)24-16-10-6-3-7-11-16/h2-13,23H,1H3,(H,24,25)(H,26,27)/b13-12+