3-[(E)-3-[(2,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)amino]-2-octoxy-prop-1-enoxy]prop-1-en-1-one

Systemtic Name: 3-[(E)-3-[(2,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)amino]-2-octoxy-prop-1-enoxy]prop-1-en-1-one Openeye Name: 3-[(E)-3-[(3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl)amino]-2-octoxy-prop-1-enoxy]prop-1-en-1-one CAS Name: 3-[(E)-3-[(3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl)amino]-2-octoxyprop-1-enoxy]-1-propen-1-one IUPAC Name: 3-[(E)-3-[(3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl)amino]-2-octoxyprop-1-enoxy]prop-1-en-1-one Traditional Name: 3-[(E)-3-[(3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl)amino]-2-octoxy-prop-1-enoxy]prop-1-en-1-one Formula: C25H36N2O7 MolecularWeight: 476.56254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=COCC=C=O)CNC1C(C(OC2=C1C=C(C=C2)[N+](=O)[O-])(C)C)O

Isomeric SMILES

CCCCCCCCO/C(=C/OCC=C=O)/CNC1C(C(OC2=C1C=C(C=C2)[N+](=O)[O-])(C)C)O

InChI

InChI=1S/C25H36N2O7/c1-4-5-6-7-8-9-15-33-20(18-32-14-10-13-28)17-26-23-21-16-19(27(30)31)11-12-22(21)34-25(2,3)24(23)29/h10-12,16,18,23-24,26,29H,4-9,14-15,17H2,1-3H3/b20-18+