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

Systemtic Name: 4-methyl-3-[2-(2-nitrophenoxy)ethanoylamino]benzoic acid Openeye Name: 4-methyl-3-[[2-(2-nitrophenoxy)acetyl]amino]benzoic acid CAS Name: 4-methyl-3-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[2-(2-nitrophenoxy)acetyl]amino]benzoic acid Traditional Name: 4-methyl-3-[[2-(2-nitrophenoxy)acetyl]amino]benzoic acid Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)COC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)COC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O6/c1-10-6-7-11(16(20)21)8-12(10)17-15(19)9-24-14-5-3-2-4-13(14)18(22)23/h2-8H,9H2,1H3,(H,17,19)(H,20,21)