3-[2,5-dimethyl-3-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]-4-methyl-benzoic acid

Systemtic Name: 3-[2,5-dimethyl-3-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]-4-methyl-benzoic acid Openeye Name: 3-[2,5-dimethyl-3-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methyl]pyrrol-1-yl]-4-methyl-benzoic acid CAS Name: 3-[2,5-dimethyl-3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1-pyrrolyl]-4-methylbenzoic acid IUPAC Name: 3-[2,5-dimethyl-3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]-4-methylbenzoic acid Traditional Name: 3-[2,5-dimethyl-3-[(2,4,6-triketohexahydropyrimidin-5-ylidene)methyl]pyrrol-1-yl]-4-methyl-benzoic acid Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)N2C(=CC(=C2C)C=C3C(=O)NC(=O)NC3=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N2C(=CC(=C2C)C=C3C(=O)NC(=O)NC3=O)C

InChI

InChI=1S/C19H17N3O5/c1-9-4-5-12(18(25)26)8-15(9)22-10(2)6-13(11(22)3)7-14-16(23)20-19(27)21-17(14)24/h4-8H,1-3H3,(H,25,26)(H2,20,21,23,24,27)