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

Systemtic Name: 3-[2-(2,4-dinitrophenoxy)ethanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-(2,4-dinitrophenoxy)acetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-(2,4-dinitrophenoxy)-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-(2,4-dinitrophenoxy)acetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-(2,4-dinitrophenoxy)acetyl]amino]-4-methyl-benzoic acid Formula: C16H13N3O8 MolecularWeight: 375.28972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O8/c1-9-2-3-10(16(21)22)6-12(9)17-15(20)8-27-14-5-4-11(18(23)24)7-13(14)19(25)26/h2-7H,8H2,1H3,(H,17,20)(H,21,22)