2-[2-(2-azanyl-6-nitro-phenyl)-1-(4-methoxyphenyl)ethyl]propanedioic acid

Systemtic Name: 2-[2-(2-azanyl-6-nitro-phenyl)-1-(4-methoxyphenyl)ethyl]propanedioic acid Openeye Name: 2-[2-(2-amino-6-nitro-phenyl)-1-(4-methoxyphenyl)ethyl]propanedioic acid CAS Name: 2-[2-(2-amino-6-nitrophenyl)-1-(4-methoxyphenyl)ethyl]propanedioic acid IUPAC Name: 2-[2-(2-amino-6-nitrophenyl)-1-(4-methoxyphenyl)ethyl]propanedioic acid Traditional Name: 2-[2-(2-amino-6-nitro-phenyl)-1-(4-methoxyphenyl)ethyl]malonic acid Formula: C18H18N2O7 MolecularWeight: 374.34472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7/c1-27-11-7-5-10(6-8-11)12(16(17(21)22)18(23)24)9-13-14(19)3-2-4-15(13)20(25)26/h2-8,12,16H,9,19H2,1H3,(H,21,22)(H,23,24)