2-[4-[(3,5-dinitrophenyl)carbonylamino]-3-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(3,5-dinitrophenyl)carbonylamino]-3-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[(3,5-dinitrobenzoyl)amino]-3-methyl-phenoxy]acetic acid CAS Name: 2-[4-[[(3,5-dinitrophenyl)-oxomethyl]amino]-3-methylphenoxy]acetic acid IUPAC Name: 2-[4-[(3,5-dinitrobenzoyl)amino]-3-methylphenoxy]acetic acid Traditional Name: 2-[4-[(3,5-dinitrobenzoyl)amino]-3-methyl-phenoxy]acetic acid Formula: C16H13N3O8 MolecularWeight: 375.28972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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