tert-butyl 2-[(E)-3-(cyanoamino)-3-oxidanylidene-prop-1-enyl]-4-pyridin-4-yl-pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-[(E)-3-(cyanoamino)-3-oxidanylidene-prop-1-enyl]-4-pyridin-4-yl-pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[(E)-3-(cyanoamino)-3-oxo-prop-1-enyl]-4-(4-pyridyl)pyrrole-1-carboxylate CAS Name: 2-[(E)-3-(cyanoamino)-3-oxoprop-1-enyl]-4-pyridin-4-yl-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(E)-3-(cyanoamino)-3-oxoprop-1-enyl]-4-pyridin-4-ylpyrrole-1-carboxylate Traditional Name: 2-[(E)-3-(cyanoamino)-3-keto-prop-1-enyl]-4-(4-pyridyl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C=C1C=CC(=O)NC#N)C2=CC=NC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C=C1/C=C/C(=O)NC#N)C2=CC=NC=C2

InChI

InChI=1S/C18H18N4O3/c1-18(2,3)25-17(24)22-11-14(13-6-8-20-9-7-13)10-15(22)4-5-16(23)21-12-19/h4-11H,1-3H3,(H,21,23)/b5-4+