2-[(3,5-dinitrophenyl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[(3,5-dinitrophenyl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[(3,5-dinitrobenzoyl)amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[(3,5-dinitrobenzoyl)amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]-3-(4-hydroxyphenyl)propionic acid Formula: C16H13N3O8 MolecularWeight: 375.28972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O

InChI

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