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methanesulfonate; naphthalen-2-yl 2-carbamimidoyl-4-nitro-benzoate

methanesulfonate; naphthalen-2-yl 2-carbamimidoyl-4-nitro-benzoate

Systemtic Name:methanesulfonate; naphthalen-2-yl 2-carbamimidoyl-4-nitro-benzoate
Openeye Name:methanesulfonate; 2-naphthyl 2-carbamimidoyl-4-nitro-benzoate
CAS Name:2-carbamimidoyl-4-nitrobenzoic acid 2-naphthalenyl ester; methanesulfonate
IUPAC Name:methanesulfonate; naphthalen-2-yl 2-carbamimidoyl-4-nitrobenzoate
Traditional Name:2-amidino-4-nitro-benzoic acid 2-naphthyl ester mesylate
Formula: C19H16N3O7S-
MolecularWeight: 430.41124
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C2C=C(C=CC2=C1)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])C(=N)N


Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C2C=C(C=CC2=C1)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])C(=N)N


InChI

InChI=1S/C18H13N3O4.CH4O3S/c19-17(20)16-10-13(21(23)24)6-8-15(16)18(22)25-14-7-5-11-3-1-2-4-12(11)9-14;1-5(2,3)4/h1-10H,(H3,19,20);1H3,(H,2,3,4)/p-1


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