[(Z)-[azanyl(thiophen-2-yl)methylidene]amino] 2-(4-nitropyrazol-1-yl)butanoate

Systemtic Name: [(Z)-[azanyl(thiophen-2-yl)methylidene]amino] 2-(4-nitropyrazol-1-yl)butanoate Openeye Name: [(Z)-[amino(2-thienyl)methylene]amino] 2-(4-nitropyrazol-1-yl)butanoate CAS Name: 2-(4-nitro-1-pyrazolyl)butanoic acid [(Z)-[amino(thiophen-2-yl)methylidene]amino] ester IUPAC Name: [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2-(4-nitropyrazol-1-yl)butanoate Traditional Name: 2-(4-nitropyrazol-1-yl)butyric acid [(Z)-[amino(2-thienyl)methylene]amino] ester Formula: C12H13N5O4S MolecularWeight: 323.32772

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)ON=C(C1=CC=CS1)N)N2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)O/N=C(/C1=CC=CS1)\N)N2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O4S/c1-2-9(16-7-8(6-14-16)17(19)20)12(18)21-15-11(13)10-4-3-5-22-10/h3-7,9H,2H2,1H3,(H2,13,15)