2-[(3,5-dinitrophenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-[(3,5-dinitrophenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[(3,5-dinitrobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[(3,5-dinitrobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C13H11N5O7 MolecularWeight: 349.25574

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NC(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C13H11N5O7/c19-12(16-11(13(20)21)3-8-5-14-6-15-8)7-1-9(17(22)23)4-10(2-7)18(24)25/h1-2,4-6,11H,3H2,(H,14,15)(H,16,19)(H,20,21)