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

Systemtic Name: 4-[[1-(4-aminocarbonylphenyl)-4-methoxycarbonyl-5-methyl-2-oxidanylidene-pyrrol-3-ylidene]methyl]benzoic acid Openeye Name: 4-[[1-(4-carbamoylphenyl)-4-methoxycarbonyl-5-methyl-2-oxo-pyrrol-3-ylidene]methyl]benzoic acid CAS Name: 4-[[1-(4-carbamoylphenyl)-4-methoxycarbonyl-5-methyl-2-oxo-3-pyrrolylidene]methyl]benzoic acid IUPAC Name: 4-[[1-(4-carbamoylphenyl)-4-methoxycarbonyl-5-methyl-2-oxopyrrol-3-ylidene]methyl]benzoic acid Traditional Name: 4-[[1-(4-carbamoylphenyl)-4-carbomethoxy-2-keto-5-methyl-2-pyrrolin-3-ylidene]methyl]benzoic acid Formula: C22H18N2O6 MolecularWeight: 406.38812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=C(C=C2)C(=O)O)C(=O)N1C3=CC=C(C=C3)C(=O)N)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC2=CC=C(C=C2)C(=O)O)C(=O)N1C3=CC=C(C=C3)C(=O)N)C(=O)OC

InChI

InChI=1S/C22H18N2O6/c1-12-18(22(29)30-2)17(11-13-3-5-15(6-4-13)21(27)28)20(26)24(12)16-9-7-14(8-10-16)19(23)25/h3-11H,1-2H3,(H2,23,25)(H,27,28)