2-(5-chloranyl-2-nitro-phenyl)-2-[1-(4-methoxyphenyl)ethyl]propanedioic acid

Systemtic Name: 2-(5-chloranyl-2-nitro-phenyl)-2-[1-(4-methoxyphenyl)ethyl]propanedioic acid Openeye Name: 2-(5-chloro-2-nitro-phenyl)-2-[1-(4-methoxyphenyl)ethyl]propanedioic acid CAS Name: 2-(5-chloro-2-nitrophenyl)-2-[1-(4-methoxyphenyl)ethyl]propanedioic acid IUPAC Name: 2-(5-chloro-2-nitrophenyl)-2-[1-(4-methoxyphenyl)ethyl]propanedioic acid Traditional Name: 2-(5-chloro-2-nitro-phenyl)-2-[1-(4-methoxyphenyl)ethyl]malonic acid Formula: C18H16ClNO7 MolecularWeight: 393.77514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO7/c1-10(11-3-6-13(27-2)7-4-11)18(16(21)22,17(23)24)14-9-12(19)5-8-15(14)20(25)26/h3-10H,1-2H3,(H,21,22)(H,23,24)