3-chloranyl-4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-(4-phenoxyphenyl)pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-(4-phenoxyphenyl)pyrrole-2,5-dione Openeye Name: 3-chloro-4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-(4-phenoxyphenyl)pyrrole-2,5-dione CAS Name: 3-chloro-4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-(4-phenoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3-chloro-4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-(4-phenoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-chloro-4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-1-(4-phenoxyphenyl)-3-pyrroline-2,5-quinone Formula: C27H21ClN4O4 MolecularWeight: 500.93304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C(=O)N(C3=O)C4=CC=C(C=C4)OC5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C(=O)N(C3=O)C4=CC=C(C=C4)OC5=CC=CC=C5)Cl

InChI

InChI=1S/C27H21ClN4O4/c1-17-23(27(35)32(30(17)2)19-9-5-3-6-10-19)29-24-22(28)25(33)31(26(24)34)18-13-15-21(16-14-18)36-20-11-7-4-8-12-20/h3-16,29H,1-2H3