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

Systemtic Name: 2-[4-(2-chloranyl-4-nitro-phenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl]butanedioic acid Openeye Name: 2-[4-(2-chloro-4-nitro-benzoyl)-2,5-dimethyl-pyrazol-3-yl]butanedioic acid CAS Name: 2-[4-[(2-chloro-4-nitrophenyl)-oxomethyl]-2,5-dimethyl-3-pyrazolyl]butanedioic acid IUPAC Name: 2-[4-(2-chloro-4-nitrobenzoyl)-2,5-dimethylpyrazol-3-yl]butanedioic acid Traditional Name: 2-[4-(2-chloro-4-nitro-benzoyl)-2,5-dimethyl-pyrazol-3-yl]succinic acid Formula: C16H14ClN3O7 MolecularWeight: 395.75126

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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)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)C(=O)O)C

InChI

InChI=1S/C16H14ClN3O7/c1-7-13(14(19(2)18-7)10(16(24)25)6-12(21)22)15(23)9-4-3-8(20(26)27)5-11(9)17/h3-5,10H,6H2,1-2H3,(H,21,22)(H,24,25)