[azanyl-(1,3-benzoxazol-2-ylamino)methylidene]-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]azanium

Systemtic Name: [azanyl-(1,3-benzoxazol-2-ylamino)methylidene]-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]azanium Openeye Name: [amino-(1,3-benzoxazol-2-ylamino)methylene]-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]ammonium CAS Name: [amino-(1,3-benzoxazol-2-ylamino)methylidene]-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]ammonium IUPAC Name: [amino-(1,3-benzoxazol-2-ylamino)methylidene]-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]azanium Traditional Name: [amino-(1,3-benzoxazol-2-ylamino)methylene]-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]ammonium Formula: C14H14N5O3+ MolecularWeight: 300.29266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C[NH+]=C(N)NC1=NC2=CC=CC=C2O1)C#N

Isomeric SMILES

CCOC(=O)/C(=C/[NH+]=C(N)NC1=NC2=CC=CC=C2O1)/C#N

InChI

InChI=1S/C14H13N5O3/c1-2-21-12(20)9(7-15)8-17-13(16)19-14-18-10-5-3-4-6-11(10)22-14/h3-6,8H,2H2,1H3,(H3,16,17,18,19)/p+1/b9-8+