2-[1-[(2-ethoxycarbonyl-3-nitro-phenyl)carbonylamino]imidazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-[(2-ethoxycarbonyl-3-nitro-phenyl)carbonylamino]imidazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-[(2-ethoxycarbonyl-3-nitro-benzoyl)amino]imidazol-1-ium-1-yl]acetic acid CAS Name: 2-[1-[[(2-ethoxycarbonyl-3-nitrophenyl)-oxomethyl]amino]-1-imidazol-1-iumyl]acetic acid IUPAC Name: 2-[1-[(2-ethoxycarbonyl-3-nitrobenzoyl)amino]imidazol-1-ium-1-yl]acetic acid Traditional Name: 2-[1-[(2-carbethoxy-3-nitro-benzoyl)amino]imidazol-1-ium-1-yl]acetic acid Formula: C15H15N4O7+ MolecularWeight: 363.3022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC=C1[N+](=O)[O-])C(=O)N[N+]2(C=CN=C2)CC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C=CC=C1[N+](=O)[O-])C(=O)N[N+]2(C=CN=C2)CC(=O)O

InChI

InChI=1S/C15H14N4O7/c1-2-26-15(23)13-10(4-3-5-11(13)18(24)25)14(22)17-19(8-12(20)21)7-6-16-9-19/h3-7,9H,2,8H2,1H3,(H-,17,20,21,22)/p+1