3-[(E)-3-[(2,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)amino]-2-propoxy-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-propoxy-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-propoxy-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-propoxyprop-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-propoxyprop-1-enoxy]prop-1-en-1-one Traditional Name: 3-[(E)-3-[(3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl)amino]-2-propoxy-prop-1-enoxy]prop-1-en-1-one Formula: C20H26N2O7 MolecularWeight: 406.42964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O7/c1-4-9-28-15(13-27-10-5-8-23)12-21-18-16-11-14(22(25)26)6-7-17(16)29-20(2,3)19(18)24/h5-7,11,13,18-19,21,24H,4,9-10,12H2,1-3H3/b15-13+