[(Z)-[1-azanyl-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethylidene]amino] thiophene-2-carboxylate

Systemtic Name: [(Z)-[1-azanyl-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethylidene]amino] thiophene-2-carboxylate Openeye Name: [(Z)-[1-amino-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethylidene]amino] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [(Z)-[1-amino-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethylidene]amino] ester IUPAC Name: [(Z)-[1-amino-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethylidene]amino] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [(Z)-[1-amino-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethylidene]amino] ester Formula: C12H13N5O4S MolecularWeight: 323.32772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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