O-[(2-azanyl-5-nitro-phenyl)methyl] methanethioate

Systemtic Name: O-[(2-azanyl-5-nitro-phenyl)methyl] methanethioate Openeye Name: O-[(2-amino-5-nitro-phenyl)methyl] methanethioate CAS Name: methanethioic acid O-[(2-amino-5-nitrophenyl)methyl] ester IUPAC Name: O-[(2-amino-5-nitrophenyl)methyl] methanethioate Traditional Name: methanethioic acid O-(2-amino-5-nitro-benzyl) ester Formula: C8H8N2O3S MolecularWeight: 212.22572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8N2O3S/c9-8-2-1-7(10(11)12)3-6(8)4-13-5-14/h1-3,5H,4,9H2