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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN(CC=C)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO

Isomeric SMILES

COC1=CC=CC(=C1OC)CN(CC=C)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO

InChI

InChI=1S/C21H25N5O6/c1-4-10-25(13-14-7-5-8-17(30-2)21(14)31-3)16-12-15(22-9-6-11-27)20(26(28)29)19-18(16)23-32-24-19/h4-5,7-8,12,22,27H,1,6,9-11,13H2,2-3H3