1-[(3-azanylidene-1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-7-yl)oxy]-3-(ethylamino)propan-2-ol

Systemtic Name: 1-[(3-azanylidene-1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-7-yl)oxy]-3-(ethylamino)propan-2-ol Openeye Name: 1-(ethylamino)-3-[(4-hydroxy-3-imino-1-oxido-1,2,4-benzotriazin-1-ium-7-yl)oxy]propan-2-ol CAS Name: 1-(ethylamino)-3-[(4-hydroxy-3-imino-1-oxido-1,2,4-benzotriazin-1-ium-7-yl)oxy]-2-propanol IUPAC Name: 1-(ethylamino)-3-[(4-hydroxy-3-imino-1-oxido-1,2,4-benzotriazin-1-ium-7-yl)oxy]propan-2-ol Traditional Name: 1-(ethylamino)-3-[(4-hydroxy-3-imino-1-oxido-1,2,4-benzotriazin-1-ium-7-yl)oxy]propan-2-ol Formula: C12H17N5O4 MolecularWeight: 295.29448

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC(COC1=CC2=C(C=C1)N(C(=N)N=[N+]2[O-])O)O

Isomeric SMILES

CCNCC(COC1=CC2=C(C=C1)N(C(=N)N=[N+]2[O-])O)O

InChI

InChI=1S/C12H17N5O4/c1-2-14-6-8(18)7-21-9-3-4-10-11(5-9)17(20)15-12(13)16(10)19/h3-5,8,13-14,18-19H,2,6-7H2,1H3