4-[[2-(3-methyl-4-nitro-phenoxy)ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-(3-methyl-4-nitro-phenoxy)ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(3-methyl-4-nitro-phenoxy)acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-(3-methyl-4-nitrophenoxy)-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(3-methyl-4-nitro-phenoxy)acetyl]amino]methyl]benzoic acid Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NCC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NCC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6/c1-11-8-14(6-7-15(11)19(23)24)25-10-16(20)18-9-12-2-4-13(5-3-12)17(21)22/h2-8H,9-10H2,1H3,(H,18,20)(H,21,22)