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

Systemtic Name: 3-[[7-[(2,5-dimethoxyphenyl)methyl-prop-2-enyl-amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Openeye Name: 3-[[7-[allyl-[(2,5-dimethoxyphenyl)methyl]amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol CAS Name: 3-[[7-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[[7-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Traditional Name: 3-[[7-[allyl-(2,5-dimethoxybenzyl)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(=C(C=C1)OC)CN(CC=C)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN(CC=C)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO

InChI

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