4-(2-ethylsulfanylethylamino)-3-nitro-benzoic acid

Systemtic Name: 4-(2-ethylsulfanylethylamino)-3-nitro-benzoic acid Openeye Name: 4-(2-ethylsulfanylethylamino)-3-nitro-benzoic acid CAS Name: 4-[2-(ethylthio)ethylamino]-3-nitrobenzoic acid IUPAC Name: 4-(2-ethylsulfanylethylamino)-3-nitrobenzoic acid Traditional Name: 4-[2-(ethylthio)ethylamino]-3-nitro-benzoic acid Formula: C11H14N2O4S MolecularWeight: 270.30486

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCSCCNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O4S/c1-2-18-6-5-12-9-4-3-8(11(14)15)7-10(9)13(16)17/h3-4,7,12H,2,5-6H2,1H3,(H,14,15)