N-[(4E)-4-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(4E)-4-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]pyridin-1-ium-3-carboxamide Openeye Name: N-[(4E)-4-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]pyridin-1-ium-3-carboxamide CAS Name: N-[(4E)-4-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(4E)-4-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]pyridin-1-ium-3-carboxamide Traditional Name: N-[(4E)-4-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]pyridin-1-ium-3-carboxamide Formula: C21H18N3O3+ MolecularWeight: 360.38592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=C3C=CC(=CC3=O)NC(=O)C4=C[NH+]=CC=C4)N2

Isomeric SMILES

CC1=CC2=C(C=C1C)O/C(=C/3\C=CC(=CC3=O)NC(=O)C4=C[NH+]=CC=C4)/N2

InChI

InChI=1S/C21H17N3O3/c1-12-8-17-19(9-13(12)2)27-21(24-17)16-6-5-15(10-18(16)25)23-20(26)14-4-3-7-22-11-14/h3-11,24H,1-2H3,(H,23,26)/p+1/b21-16+