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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(CC2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(C(=O)O)C(=O)O

InChI

InChI=1S/C18H16ClNO7/c1-27-13-5-2-10(3-6-13)14(16(17(21)22)18(23)24)9-11-8-12(19)4-7-15(11)20(25)26/h2-8,14,16H,9H2,1H3,(H,21,22)(H,23,24)