ethyl 4-[[4-azanyl-3-(methylamino)-1,2,5-oxadiazin-6-ylidene]amino]benzoate

Systemtic Name: ethyl 4-[[4-azanyl-3-(methylamino)-1,2,5-oxadiazin-6-ylidene]amino]benzoate Openeye Name: ethyl 4-[[4-amino-3-(methylamino)-1,2,5-oxadiazin-6-ylidene]amino]benzoate CAS Name: 4-[[4-amino-3-(methylamino)-1,2,5-oxadiazin-6-ylidene]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-amino-3-(methylamino)-1,2,5-oxadiazin-6-ylidene]amino]benzoate Traditional Name: 4-[[4-amino-3-(methylamino)-1,2,5-oxadiazin-6-ylidene]amino]benzoic acid ethyl ester Formula: C13H15N5O3 MolecularWeight: 289.2899

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=C2N=C(C(=NO2)NC)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=C2N=C(C(=NO2)NC)N

InChI

InChI=1S/C13H15N5O3/c1-3-20-12(19)8-4-6-9(7-5-8)16-13-17-10(14)11(15-2)18-21-13/h4-7H,3H2,1-2H3,(H,15,18)(H2,14,16,17)