methanesulfonate; (2-nitrophenyl) 4-carbamimidoylbenzoate

Systemtic Name: methanesulfonate; (2-nitrophenyl) 4-carbamimidoylbenzoate Openeye Name: methanesulfonate; (2-nitrophenyl) 4-carbamimidoylbenzoate CAS Name: 4-carbamimidoylbenzoic acid (2-nitrophenyl) ester; methanesulfonate IUPAC Name: methanesulfonate; (2-nitrophenyl) 4-carbamimidoylbenzoate Traditional Name: 4-amidinobenzoic acid (2-nitrophenyl) ester mesylate Formula: C15H14N3O7S- MolecularWeight: 380.35256

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C(C(=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C(C(=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C14H11N3O4.CH4O3S/c15-13(16)9-5-7-10(8-6-9)14(18)21-12-4-2-1-3-11(12)17(19)20;1-5(2,3)4/h1-8H,(H3,15,16);1H3,(H,2,3,4)/p-1