2-[6-[carbamimidoyl(methyl)amino]-4-oxidanylidene-2H-1,3-benzoxazin-3-yl]ethyl nitrate

Systemtic Name: 2-[6-[carbamimidoyl(methyl)amino]-4-oxidanylidene-2H-1,3-benzoxazin-3-yl]ethyl nitrate Openeye Name: 2-[6-[carbamimidoyl(methyl)amino]-4-oxo-2H-1,3-benzoxazin-3-yl]ethyl nitrate CAS Name: nitric acid 2-[6-[carbamimidoyl(methyl)amino]-4-oxo-2H-1,3-benzoxazin-3-yl]ethyl ester IUPAC Name: 2-[6-[carbamimidoyl(methyl)amino]-4-oxo-2H-1,3-benzoxazin-3-yl]ethyl nitrate Traditional Name: nitric acid 2-[6-[amidino(methyl)amino]-4-keto-2H-1,3-benzoxazin-3-yl]ethyl ester Formula: C12H15N5O5 MolecularWeight: 309.278

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(C=C1)OCN(C2=O)CCO[N+](=O)[O-])C(=N)N

Isomeric SMILES

CN(C1=CC2=C(C=C1)OCN(C2=O)CCO[N+](=O)[O-])C(=N)N

InChI

InChI=1S/C12H15N5O5/c1-15(12(13)14)8-2-3-10-9(6-8)11(18)16(7-21-10)4-5-22-17(19)20/h2-3,6H,4-5,7H2,1H3,(H3,13,14)