2-[2-(3-nitroindol-1-yl)ethanoyloxymethyl]-2-phenyl-propanedioic acid

Systemtic Name: 2-[2-(3-nitroindol-1-yl)ethanoyloxymethyl]-2-phenyl-propanedioic acid Openeye Name: 2-[[2-(3-nitroindol-1-yl)acetyl]oxymethyl]-2-phenyl-propanedioic acid CAS Name: 2-[[2-(3-nitro-1-indolyl)-1-oxoethoxy]methyl]-2-phenylpropanedioic acid IUPAC Name: 2-[[2-(3-nitroindol-1-yl)acetyl]oxymethyl]-2-phenylpropanedioic acid Traditional Name: 2-[[2-(3-nitroindol-1-yl)acetyl]oxymethyl]-2-phenyl-malonic acid Formula: C20H16N2O8 MolecularWeight: 412.34964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(COC(=O)CN2C=C(C3=CC=CC=C32)[N+](=O)[O-])(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(COC(=O)CN2C=C(C3=CC=CC=C32)[N+](=O)[O-])(C(=O)O)C(=O)O

InChI

InChI=1S/C20H16N2O8/c23-17(11-21-10-16(22(28)29)14-8-4-5-9-15(14)21)30-12-20(18(24)25,19(26)27)13-6-2-1-3-7-13/h1-10H,11-12H2,(H,24,25)(H,26,27)