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

Systemtic Name: 3-methyl-5-[2-(4-nitrophenyl)ethanoylamino]-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-3-methyl-5-[[2-(4-nitrophenyl)acetyl]amino]benzoate CAS Name: 2-hydroxy-3-methyl-5-[[2-(4-nitrophenyl)-1-oxoethyl]amino]benzoate IUPAC Name: 2-hydroxy-3-methyl-5-[[2-(4-nitrophenyl)acetyl]amino]benzoate Traditional Name: 2-hydroxy-3-methyl-5-[[2-(4-nitrophenyl)acetyl]amino]benzoate Formula: C16H13N2O6- MolecularWeight: 329.28422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-])O

Isomeric SMILES

CC1=C(C(=CC(=C1)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-])O

InChI

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