3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrole-2-carboxylic acid Openeye Name: 3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxo-2-pyrrolylidene)methyl]-4-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-5-keto-4-methyl-3-pyrrolin-2-ylidene)methyl]-4-methyl-1H-pyrrole-2-carboxylic acid Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)NC1=CC2=C(C(=C(N2)C(=O)O)CCC(=O)O)C)C

Isomeric SMILES

CCC\1=C(C(=O)N/C1=C\C2=C(C(=C(N2)C(=O)O)CCC(=O)O)C)C

InChI

InChI=1S/C17H20N2O5/c1-4-10-9(3)16(22)19-13(10)7-12-8(2)11(5-6-14(20)21)15(18-12)17(23)24/h7,18H,4-6H2,1-3H3,(H,19,22)(H,20,21)(H,23,24)/b13-7-