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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H13N3O8/c20-15(17-8-10-1-3-11(4-2-10)16(21)22)9-27-14-6-5-12(18(23)24)7-13(14)19(25)26/h1-7H,8-9H2,(H,17,20)(H,21,22)