ethyl 5-azanyl-4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-3-oxidanylidene-1H-pyrazole-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-3-oxidanylidene-1H-pyrazole-2-carboxylate Openeye Name: ethyl 5-amino-4-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-3-oxo-1H-pyrazole-2-carboxylate CAS Name: 5-amino-4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-3-oxo-1H-pyrazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-3-oxo-1H-pyrazole-2-carboxylate Traditional Name: 3-amino-4-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-5-keto-3-pyrazoline-1-carboxylic acid ethyl ester Formula: C12H14N4O5 MolecularWeight: 294.26336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(NN(C1=O)C(=O)OCC)N)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(NN(C1=O)C(=O)OCC)N)/C#N

InChI

InChI=1S/C12H14N4O5/c1-3-20-11(18)7(6-13)5-8-9(14)15-16(10(8)17)12(19)21-4-2/h5,15H,3-4,14H2,1-2H3/b7-5+