2-[1-azanyl-1-(carboxymethyl)imidazol-1-ium-2-yl]carbonyl-6-nitro-benzoic acid

Systemtic Name: 2-[1-azanyl-1-(carboxymethyl)imidazol-1-ium-2-yl]carbonyl-6-nitro-benzoic acid Openeye Name: 2-[1-amino-1-(carboxymethyl)imidazol-1-ium-2-carbonyl]-6-nitro-benzoic acid CAS Name: 2-[[1-amino-1-(carboxymethyl)-2-imidazol-1-iumyl]-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[1-amino-1-(carboxymethyl)imidazol-1-ium-2-carbonyl]-6-nitrobenzoic acid Traditional Name: 2-[1-amino-1-(carboxymethyl)imidazol-1-ium-2-carbonyl]-6-nitro-benzoic acid Formula: C13H11N4O7+ MolecularWeight: 335.24904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4O7/c14-17(6-9(18)19)5-4-15-12(17)11(20)7-2-1-3-8(16(23)24)10(7)13(21)22/h1-5H,6,14H2,(H-,18,19,21,22)/p+1