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

Systemtic Name: 2-chloranyl-4-[2,5-dimethyl-3-[[1-methyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid Openeye Name: 2-chloro-4-[2,5-dimethyl-3-[(1-methyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid CAS Name: 2-chloro-4-[2,5-dimethyl-3-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1-pyrrolyl]benzoic acid IUPAC Name: 2-chloro-4-[2,5-dimethyl-3-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoic acid Traditional Name: 2-chloro-4-[2,5-dimethyl-3-[(2,4,6-triketo-1-methyl-hexahydropyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid Formula: C19H16ClN3O5 MolecularWeight: 401.80044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)C(=O)O)Cl)C)C=C3C(=O)NC(=O)N(C3=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)C(=O)O)Cl)C)C=C3C(=O)NC(=O)N(C3=O)C

InChI

InChI=1S/C19H16ClN3O5/c1-9-6-11(7-14-16(24)21-19(28)22(3)17(14)25)10(2)23(9)12-4-5-13(18(26)27)15(20)8-12/h4-8H,1-3H3,(H,26,27)(H,21,24,28)