methyl 4-azanylsulfanyl-3-nitro-benzoate

Systemtic Name: methyl 4-azanylsulfanyl-3-nitro-benzoate Openeye Name: methyl 4-aminosulfanyl-3-nitro-benzoate CAS Name: 4-(aminothio)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-aminosulfanyl-3-nitrobenzoate Traditional Name: 4-(aminothio)-3-nitro-benzoic acid methyl ester Formula: C8H8N2O4S MolecularWeight: 228.22512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SN)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SN)[N+](=O)[O-]

InChI

InChI=1S/C8H8N2O4S/c1-14-8(11)5-2-3-7(15-9)6(4-5)10(12)13/h2-4H,9H2,1H3