[(Z)-[azanyl(thiophen-2-yl)methylidene]amino] 2-(5-methyl-3-nitro-pyrazol-1-yl)propanoate

Systemtic Name: [(Z)-[azanyl(thiophen-2-yl)methylidene]amino] 2-(5-methyl-3-nitro-pyrazol-1-yl)propanoate Openeye Name: [(Z)-[amino(2-thienyl)methylene]amino] 2-(5-methyl-3-nitro-pyrazol-1-yl)propanoate CAS Name: 2-(5-methyl-3-nitro-1-pyrazolyl)propanoic acid [(Z)-[amino(thiophen-2-yl)methylidene]amino] ester IUPAC Name: [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2-(5-methyl-3-nitropyrazol-1-yl)propanoate Traditional Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)propionic acid [(Z)-[amino(2-thienyl)methylene]amino] ester Formula: C12H13N5O4S MolecularWeight: 323.32772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C)C(=O)ON=C(C2=CC=CS2)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1C(C)C(=O)O/N=C(/C2=CC=CS2)\N)[N+](=O)[O-]

InChI

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