ethyl-(2-methylprop-2-enyl)-[(5-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]azanium

Systemtic Name: ethyl-(2-methylprop-2-enyl)-[(5-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]azanium Openeye Name: ethyl-(2-methylallyl)-[(5-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl]ammonium CAS Name: ethyl-(2-methylprop-2-enyl)-[(5-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl]ammonium IUPAC Name: ethyl-(2-methylprop-2-enyl)-[(5-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl]azanium Traditional Name: ethyl-[(2-keto-5-nitro-1,3-benzoxazol-3-yl)methyl]-(2-methylallyl)ammonium Formula: C14H18N3O4+ MolecularWeight: 292.31042

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(=C)C)CN1C2=C(C=CC(=C2)[N+](=O)[O-])OC1=O

Isomeric SMILES

CC[NH+](CC(=C)C)CN1C2=C(C=CC(=C2)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C14H17N3O4/c1-4-15(8-10(2)3)9-16-12-7-11(17(19)20)5-6-13(12)21-14(16)18/h5-7H,2,4,8-9H2,1,3H3/p+1