2-[2-methyl-6-nitro-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoic acid

Systemtic Name: 2-[2-methyl-6-nitro-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoic acid Openeye Name: 2-(1-benzyl-2-methyl-6-nitro-3-oxamoyl-indol-4-yl)oxyacetic acid CAS Name: 2-[[2-methyl-6-nitro-3-oxamoyl-1-(phenylmethyl)-4-indolyl]oxy]acetic acid IUPAC Name: 2-(1-benzyl-2-methyl-6-nitro-3-oxamoylindol-4-yl)oxyacetic acid Traditional Name: 2-(1-benzyl-2-methyl-6-nitro-3-oxamoyl-indol-4-yl)oxyacetic acid Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C(C=C2N1CC3=CC=CC=C3)[N+](=O)[O-])OCC(=O)O)C(=O)C(=O)N

Isomeric SMILES

CC1=C(C2=C(C=C(C=C2N1CC3=CC=CC=C3)[N+](=O)[O-])OCC(=O)O)C(=O)C(=O)N

InChI

InChI=1S/C20H17N3O7/c1-11-17(19(26)20(21)27)18-14(22(11)9-12-5-3-2-4-6-12)7-13(23(28)29)8-15(18)30-10-16(24)25/h2-8H,9-10H2,1H3,(H2,21,27)(H,24,25)