2,2-bis[4-(2-chloranyl-4-nitro-phenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl]butanedioate

Systemtic Name: 2,2-bis[4-(2-chloranyl-4-nitro-phenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl]butanedioate Openeye Name: 2,2-bis[4-(2-chloro-4-nitro-benzoyl)-2,5-dimethyl-pyrazol-3-yl]butanedioate CAS Name: 2,2-bis[4-[(2-chloro-4-nitrophenyl)-oxomethyl]-2,5-dimethyl-3-pyrazolyl]butanedioate IUPAC Name: 2,2-bis[4-(2-chloro-4-nitrobenzoyl)-2,5-dimethylpyrazol-3-yl]butanedioate Traditional Name: 2,2-bis[4-(2-chloro-4-nitro-benzoyl)-2,5-dimethyl-pyrazol-3-yl]succinate Formula: C28H20Cl2N6O10-2 MolecularWeight: 671.3986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(CC(=O)[O-])(C3=C(C(=NN3C)C)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)C(=O)[O-])C

Isomeric SMILES

CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(CC(=O)[O-])(C3=C(C(=NN3C)C)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)C(=O)[O-])C

InChI

InChI=1S/C28H22Cl2N6O10/c1-12-21(23(39)16-7-5-14(35(43)44)9-18(16)29)25(33(3)31-12)28(27(41)42,11-20(37)38)26-22(13(2)32-34(26)4)24(40)17-8-6-15(36(45)46)10-19(17)30/h5-10H,11H2,1-4H3,(H,37,38)(H,41,42)/p-2