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

Systemtic Name: 4-bromanyl-5-methyl-3-[(E)-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 3-[(E)-3-anilino-3-oxo-prop-1-enyl]-4-bromo-5-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 3-[(E)-3-anilino-3-oxoprop-1-enyl]-4-bromo-5-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 3-[(E)-3-anilino-3-oxoprop-1-enyl]-4-bromo-5-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 3-[(E)-3-anilino-3-keto-prop-1-enyl]-4-bromo-5-methyl-1H-pyrrole-2-carboxylic acid Formula: C15H13BrN2O3 MolecularWeight: 349.17932

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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)Br

Isomeric SMILES

CC1=C(C(=C(N1)C(=O)O)/C=C/C(=O)NC2=CC=CC=C2)Br

InChI

InChI=1S/C15H13BrN2O3/c1-9-13(16)11(14(17-9)15(20)21)7-8-12(19)18-10-5-3-2-4-6-10/h2-8,17H,1H3,(H,18,19)(H,20,21)/b8-7+