4-chloranyl-3-[(2R)-2-(5-chloranyl-2-nitro-phenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]benzoic acid

Systemtic Name: 4-chloranyl-3-[(2R)-2-(5-chloranyl-2-nitro-phenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]benzoic acid Openeye Name: 4-chloro-3-[(1R)-1-(5-chloro-2-nitro-phenyl)-2-methoxy-1-methyl-2-oxo-ethyl]benzoic acid CAS Name: 4-chloro-3-[(2R)-2-(5-chloro-2-nitrophenyl)-1-methoxy-1-oxopropan-2-yl]benzoic acid IUPAC Name: 4-chloro-3-[(2R)-2-(5-chloro-2-nitrophenyl)-1-methoxy-1-oxopropan-2-yl]benzoic acid Traditional Name: 4-chloro-3-[(1R)-1-(5-chloro-2-nitro-phenyl)-2-keto-2-methoxy-1-methyl-ethyl]benzoic acid Formula: C17H13Cl2NO6 MolecularWeight: 398.19422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)C(=O)O)Cl)(C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

C[C@](C1=C(C=CC(=C1)C(=O)O)Cl)(C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H13Cl2NO6/c1-17(16(23)26-2,11-7-9(15(21)22)3-5-13(11)19)12-8-10(18)4-6-14(12)20(24)25/h3-8H,1-2H3,(H,21,22)/t17-/m0/s1