(2E)-N-(2-dimethylaminoethyl)-2-(2-nitrothiophen-1-ylidene)-3-oxidanylidene-butanamide

Systemtic Name: (2E)-N-(2-dimethylaminoethyl)-2-(2-nitrothiophen-1-ylidene)-3-oxidanylidene-butanamide Openeye Name: (2E)-N-(2-dimethylaminoethyl)-2-(2-nitro-1-thienylidene)-3-oxo-butanamide CAS Name: (2E)-N-(2-dimethylaminoethyl)-2-(2-nitro-1-thiophenylidene)-3-oxobutanamide IUPAC Name: (2E)-N-(2-dimethylaminoethyl)-2-(2-nitrothiophen-1-ylidene)-3-oxobutanamide Traditional Name: (2E)-N-(2-dimethylaminoethyl)-3-keto-2-(2-nitro-1-thienylidene)butyramide Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=S1C=CC=C1[N+](=O)[O-])C(=O)NCCN(C)C

Isomeric SMILES

CC(=O)/C(=S\1/C=CC=C1[N+](=O)[O-])/C(=O)NCCN(C)C

InChI

InChI=1S/C12H17N3O4S/c1-9(16)11(12(17)13-6-7-14(2)3)20-8-4-5-10(20)15(18)19/h4-5,8H,6-7H2,1-3H3,(H,13,17)