ethyl (1E)-N-[(2-nitrophenyl)amino]-2-oxidanylidene-propanimidothioate

Systemtic Name: ethyl (1E)-N-[(2-nitrophenyl)amino]-2-oxidanylidene-propanimidothioate Openeye Name: ethyl (1E)-N-(2-nitroanilino)-2-oxo-propanimidothioate CAS Name: (1E)-N-(2-nitroanilino)-2-oxopropanimidothioic acid ethyl ester IUPAC Name: ethyl (1E)-N-(2-nitroanilino)-2-oxopropanimidothioate Traditional Name: (1E)-2-keto-N-(2-nitroanilino)thiopropionimidic acid ethyl ester Formula: C11H13N3O3S MolecularWeight: 267.30422

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NNC1=CC=CC=C1[N+](=O)[O-])C(=O)C

Isomeric SMILES

CCS/C(=N/NC1=CC=CC=C1[N+](=O)[O-])/C(=O)C

InChI

InChI=1S/C11H13N3O3S/c1-3-18-11(8(2)15)13-12-9-6-4-5-7-10(9)14(16)17/h4-7,12H,3H2,1-2H3/b13-11+