1,4,5-trimethyl-3-[(E)-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]pyrrole-2-carboxylic acid

Systemtic Name: 1,4,5-trimethyl-3-[(E)-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]pyrrole-2-carboxylic acid Openeye Name: 3-[(E)-3-anilino-3-oxo-prop-1-enyl]-1,4,5-trimethyl-pyrrole-2-carboxylic acid CAS Name: 3-[(E)-3-anilino-3-oxoprop-1-enyl]-1,4,5-trimethyl-2-pyrrolecarboxylic acid IUPAC Name: 3-[(E)-3-anilino-3-oxoprop-1-enyl]-1,4,5-trimethylpyrrole-2-carboxylic acid Traditional Name: 3-[(E)-3-anilino-3-keto-prop-1-enyl]-1,4,5-trimethyl-pyrrole-2-carboxylic acid Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C=CC(=O)NC2=CC=CC=C2)C(=O)O)C)C

Isomeric SMILES

CC1=C(N(C(=C1/C=C/C(=O)NC2=CC=CC=C2)C(=O)O)C)C

InChI

InChI=1S/C17H18N2O3/c1-11-12(2)19(3)16(17(21)22)14(11)9-10-15(20)18-13-7-5-4-6-8-13/h4-10H,1-3H3,(H,18,20)(H,21,22)/b10-9+