3-[[7-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol

Systemtic Name: 3-[[7-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Openeye Name: 3-[[7-(5-methoxy-2-methyl-4-nitro-anilino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol CAS Name: 3-[[7-(5-methoxy-2-methyl-4-nitroanilino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[[7-(5-methoxy-2-methyl-4-nitroanilino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Traditional Name: 3-[[7-(5-methoxy-2-methyl-4-nitro-anilino)-4-nitro-benzofurazan-5-yl]amino]propan-1-ol Formula: C17H18N6O7 MolecularWeight: 418.36082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O7/c1-9-6-13(22(25)26)14(29-2)8-10(9)19-11-7-12(18-4-3-5-24)17(23(27)28)16-15(11)20-30-21-16/h6-8,18-19,24H,3-5H2,1-2H3