2-[[7-[(2,3-dimethoxyphenyl)methyl-prop-2-enyl-amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]-methyl-amino]ethanol

Systemtic Name: 2-[[7-[(2,3-dimethoxyphenyl)methyl-prop-2-enyl-amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]-methyl-amino]ethanol Openeye Name: 2-[[7-[allyl-[(2,3-dimethoxyphenyl)methyl]amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]-methyl-amino]ethanol CAS Name: 2-[[7-[(2,3-dimethoxyphenyl)methyl-prop-2-enylamino]-4-nitro-2,1,3-benzoxadiazol-5-yl]-methylamino]ethanol IUPAC Name: 2-[[7-[(2,3-dimethoxyphenyl)methyl-prop-2-enylamino]-4-nitro-2,1,3-benzoxadiazol-5-yl]-methylamino]ethanol Traditional Name: 2-[[7-[allyl(o-veratryl)amino]-4-nitro-benzofurazan-5-yl]-methyl-amino]ethanol Formula: C21H25N5O6 MolecularWeight: 443.4531

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCO)C1=C(C2=NON=C2C(=C1)N(CC=C)CC3=C(C(=CC=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CN(CCO)C1=C(C2=NON=C2C(=C1)N(CC=C)CC3=C(C(=CC=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O6/c1-5-9-25(13-14-7-6-8-17(30-3)21(14)31-4)15-12-16(24(2)10-11-27)20(26(28)29)19-18(15)22-32-23-19/h5-8,12,27H,1,9-11,13H2,2-4H3