(4-nitrophenyl) 4-(carbamimidoylsulfanylmethyl)benzoate

Systemtic Name: (4-nitrophenyl) 4-(carbamimidoylsulfanylmethyl)benzoate Openeye Name: (4-nitrophenyl) 4-(carbamimidoylsulfanylmethyl)benzoate CAS Name: 4-[(carbamimidoylthio)methyl]benzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-(carbamimidoylsulfanylmethyl)benzoate Traditional Name: 4-[(amidinothio)methyl]benzoic acid (4-nitrophenyl) ester Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC(=N)N)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC(=N)N)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O4S/c16-15(17)23-9-10-1-3-11(4-2-10)14(19)22-13-7-5-12(6-8-13)18(20)21/h1-8H,9H2,(H3,16,17)