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

Systemtic Name: [(Z)-[azanyl(thiophen-2-yl)methylidene]amino] 2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanoate Openeye Name: [(Z)-[amino(2-thienyl)methylene]amino] 2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanoate CAS Name: 2-methyl-3-(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-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanoate Traditional Name: 2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propionic acid [(Z)-[amino(2-thienyl)methylene]amino] ester Formula: C13H15N5O4S MolecularWeight: 337.3543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(C)C(=O)ON=C(C2=CC=CS2)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC(C)C(=O)O/N=C(/C2=CC=CS2)\N)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O4S/c1-8(7-17-9(2)6-11(15-17)18(20)21)13(19)22-16-12(14)10-4-3-5-23-10/h3-6,8H,7H2,1-2H3,(H2,14,16)