4-[(Z)-(1-ethyl-4-methoxycarbonyl-5-methyl-2-oxidanylidene-pyrrol-3-ylidene)methyl]benzoic acid

Systemtic Name: 4-[(Z)-(1-ethyl-4-methoxycarbonyl-5-methyl-2-oxidanylidene-pyrrol-3-ylidene)methyl]benzoic acid Openeye Name: 4-[(Z)-(1-ethyl-4-methoxycarbonyl-5-methyl-2-oxo-pyrrol-3-ylidene)methyl]benzoic acid CAS Name: 4-[(Z)-(1-ethyl-4-methoxycarbonyl-5-methyl-2-oxo-3-pyrrolylidene)methyl]benzoic acid IUPAC Name: 4-[(Z)-(1-ethyl-4-methoxycarbonyl-5-methyl-2-oxopyrrol-3-ylidene)methyl]benzoic acid Traditional Name: 4-[(Z)-(4-carbomethoxy-1-ethyl-2-keto-5-methyl-2-pyrrolin-3-ylidene)methyl]benzoic acid Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=CC2=CC=C(C=C2)C(=O)O)C1=O)C(=O)OC)C

Isomeric SMILES

CCN1C(=C(/C(=C/C2=CC=C(C=C2)C(=O)O)/C1=O)C(=O)OC)C

InChI

InChI=1S/C17H17NO5/c1-4-18-10(2)14(17(22)23-3)13(15(18)19)9-11-5-7-12(8-6-11)16(20)21/h5-9H,4H2,1-3H3,(H,20,21)/b13-9-