S-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl) 3,5-dinitrobenzenecarbothioate

Systemtic Name: S-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl) 3,5-dinitrobenzenecarbothioate Openeye Name: S-(1-carbamoylvinyl) 3,5-dinitrobenzenecarbothioate CAS Name: 3,5-dinitrobenzenecarbothioic acid S-(3-amino-3-oxoprop-1-en-2-yl) ester IUPAC Name: S-(3-amino-3-oxoprop-1-en-2-yl) 3,5-dinitrobenzenecarbothioate Traditional Name: 3,5-dinitrothiobenzoic acid S-(1-carbamoylvinyl) ester Formula: C10H7N3O6S MolecularWeight: 297.24408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7N3O6S/c1-5(9(11)14)20-10(15)6-2-7(12(16)17)4-8(3-6)13(18)19/h2-4H,1H2,(H2,11,14)