2-[[1-(carboxymethyl)imidazol-1-ium-1-yl]carbamoyl]-3-nitro-benzoic acid

Systemtic Name: 2-[[1-(carboxymethyl)imidazol-1-ium-1-yl]carbamoyl]-3-nitro-benzoic acid Openeye Name: 2-[[1-(carboxymethyl)imidazol-1-ium-1-yl]carbamoyl]-3-nitro-benzoic acid CAS Name: 2-[[[1-(carboxymethyl)-1-imidazol-1-iumyl]amino]-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[[1-(carboxymethyl)imidazol-1-ium-1-yl]carbamoyl]-3-nitrobenzoic acid Traditional Name: 2-[[1-(carboxymethyl)imidazol-1-ium-1-yl]carbamoyl]-3-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)N[N+]2(C=CN=C2)CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4O7/c18-10(19)6-17(5-4-14-7-17)15-12(20)11-8(13(21)22)2-1-3-9(11)16(23)24/h1-5,7H,6H2,(H2-,15,18,19,20,21,22)/p+1