4-[(Z)-(4-methoxycarbonyl-5-methyl-2-oxidanylidene-1-propyl-pyrrol-3-ylidene)methyl]benzoate

Systemtic Name: 4-[(Z)-(4-methoxycarbonyl-5-methyl-2-oxidanylidene-1-propyl-pyrrol-3-ylidene)methyl]benzoate Openeye Name: 4-[(Z)-(4-methoxycarbonyl-5-methyl-2-oxo-1-propyl-pyrrol-3-ylidene)methyl]benzoate CAS Name: 4-[(Z)-(4-methoxycarbonyl-5-methyl-2-oxo-1-propyl-3-pyrrolylidene)methyl]benzoate IUPAC Name: 4-[(Z)-(4-methoxycarbonyl-5-methyl-2-oxo-1-propylpyrrol-3-ylidene)methyl]benzoate Traditional Name: 4-[(Z)-(4-carbomethoxy-2-keto-5-methyl-1-propyl-2-pyrrolin-3-ylidene)methyl]benzoate Formula: C18H18NO5- MolecularWeight: 328.33922

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=CC2=CC=C(C=C2)C(=O)[O-])C1=O)C(=O)OC)C

Isomeric SMILES

CCCN1C(=C(/C(=C/C2=CC=C(C=C2)C(=O)[O-])/C1=O)C(=O)OC)C

InChI

InChI=1S/C18H19NO5/c1-4-9-19-11(2)15(18(23)24-3)14(16(19)20)10-12-5-7-13(8-6-12)17(21)22/h5-8,10H,4,9H2,1-3H3,(H,21,22)/p-1/b14-10-