2-dimethylaminoethyl 5-[(Z)-(3-imidazol-2-ylidene-5-oxidanylidene-pyrazolidin-4-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: 2-dimethylaminoethyl 5-[(Z)-(3-imidazol-2-ylidene-5-oxidanylidene-pyrazolidin-4-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: 2-dimethylaminoethyl 5-[(Z)-(3-imidazol-2-ylidene-5-oxo-pyrazolidin-4-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(Z)-[3-(2-imidazolylidene)-5-oxo-4-pyrazolidinylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 5-[(Z)-(3-imidazol-2-ylidene-5-oxopyrazolidin-4-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(Z)-(3-imidazol-2-ylidene-5-keto-pyrazolidin-4-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid 2-dimethylaminoethyl ester Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OCCN(C)C)C)C=C2C(=C3N=CC=N3)NNC2=O

Isomeric SMILES

CC1=C(NC(=C1C(=O)OCCN(C)C)C)/C=C\2/C(=C3N=CC=N3)NNC2=O

InChI

InChI=1S/C18H22N6O3/c1-10-13(21-11(2)14(10)18(26)27-8-7-24(3)4)9-12-15(22-23-17(12)25)16-19-5-6-20-16/h5-6,9,21-22H,7-8H2,1-4H3,(H,23,25)/b12-9-