bis(azanyl)methylidene-(4-chloranyl-3-ethoxy-1-oxidanylidene-isochromen-7-yl)azanium

Systemtic Name: bis(azanyl)methylidene-(4-chloranyl-3-ethoxy-1-oxidanylidene-isochromen-7-yl)azanium Openeye Name: (4-chloro-3-ethoxy-1-oxo-isochromen-7-yl)-(diaminomethylene)ammonium CAS Name: (4-chloro-3-ethoxy-1-oxo-2-benzopyran-7-yl)-(diaminomethylidene)ammonium IUPAC Name: (4-chloro-3-ethoxy-1-oxoisochromen-7-yl)-(diaminomethylidene)azanium Traditional Name: (4-chloro-3-ethoxy-1-keto-isochromen-7-yl)-(diaminomethylene)ammonium Formula: C12H13ClN3O3+ MolecularWeight: 282.70292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=C(C=C(C=C2)[NH+]=C(N)N)C(=O)O1)Cl

Isomeric SMILES

CCOC1=C(C2=C(C=C(C=C2)[NH+]=C(N)N)C(=O)O1)Cl

InChI

InChI=1S/C12H12ClN3O3/c1-2-18-11-9(13)7-4-3-6(16-12(14)15)5-8(7)10(17)19-11/h3-5H,2H2,1H3,(H4,14,15,16)/p+1