3-methyl-5-[2-(4-nitrophenoxy)ethanoylamino]-2-oxidanyl-benzoate

Systemtic Name: 3-methyl-5-[2-(4-nitrophenoxy)ethanoylamino]-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-3-methyl-5-[[2-(4-nitrophenoxy)acetyl]amino]benzoate CAS Name: 2-hydroxy-3-methyl-5-[[2-(4-nitrophenoxy)-1-oxoethyl]amino]benzoate IUPAC Name: 2-hydroxy-3-methyl-5-[[2-(4-nitrophenoxy)acetyl]amino]benzoate Traditional Name: 2-hydroxy-3-methyl-5-[[2-(4-nitrophenoxy)acetyl]amino]benzoate Formula: C16H13N2O7- MolecularWeight: 345.28362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O7/c1-9-6-10(7-13(15(9)20)16(21)22)17-14(19)8-25-12-4-2-11(3-5-12)18(23)24/h2-7,20H,8H2,1H3,(H,17,19)(H,21,22)/p-1