sodium (E)-(cyanoamino)-(3-methyl-4-pyridin-4-yl-pyrrol-2-ylidene)methanolate

Systemtic Name: sodium (E)-(cyanoamino)-(3-methyl-4-pyridin-4-yl-pyrrol-2-ylidene)methanolate Openeye Name: sodium (E)-(cyanoamino)-[3-methyl-4-(4-pyridyl)pyrrol-2-ylidene]methanolate CAS Name: sodium (E)-(cyanoamino)-(3-methyl-4-pyridin-4-yl-2-pyrrolylidene)methanolate IUPAC Name: sodium (E)-(cyanoamino)-(3-methyl-4-pyridin-4-ylpyrrol-2-ylidene)methanolate Traditional Name: sodium (E)-(cyanoamino)-[3-methyl-4-(4-pyridyl)pyrrol-2-ylidene]methanolate Formula: C12H9N4NaO MolecularWeight: 248.21583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NC1=C(NC#N)[O-])C2=CC=NC=C2.[Na+]

Isomeric SMILES

CC\1=C(C=N/C1=C(\NC#N)/[O-])C2=CC=NC=C2.[Na+]

InChI

InChI=1S/C12H10N4O.Na/c1-8-10(9-2-4-14-5-3-9)6-15-11(8)12(17)16-7-13;/h2-6,16-17H,1H3;/q;+1/p-1/b12-11+;