ethyl 4-(2-cyano-3-diazanyl-3-oxidanylidene-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(2-cyano-3-diazanyl-3-oxidanylidene-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-(2-cyano-3-hydrazino-3-oxo-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-(2-cyano-3-hydrazinyl-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-cyano-3-hydrazinyl-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(2-cyano-3-hydrazino-3-keto-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C13H18N4O3 MolecularWeight: 278.30702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)CC(C#N)C(=O)NN)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)CC(C#N)C(=O)NN)C

InChI

InChI=1S/C13H18N4O3/c1-4-20-13(19)11-7(2)10(8(3)16-11)5-9(6-14)12(18)17-15/h9,16H,4-5,15H2,1-3H3,(H,17,18)