3-[(E)-3-[(2,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)amino]-2-hexoxy-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-hexoxy-prop-1-enoxy]prop-1-en-1-one Openeye Name: 3-[(E)-2-hexoxy-3-[(3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl)amino]prop-1-enoxy]prop-1-en-1-one CAS Name: 3-[(E)-2-hexoxy-3-[(3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl)amino]prop-1-enoxy]-1-propen-1-one IUPAC Name: 3-[(E)-2-hexoxy-3-[(3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl)amino]prop-1-enoxy]prop-1-en-1-one Traditional Name: 3-[(E)-2-hexoxy-3-[(3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl)amino]prop-1-enoxy]prop-1-en-1-one Formula: C23H32N2O7 MolecularWeight: 448.50938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O7/c1-4-5-6-7-13-31-18(16-30-12-8-11-26)15-24-21-19-14-17(25(28)29)9-10-20(19)32-23(2,3)22(21)27/h8-10,14,16,21-22,24,27H,4-7,12-13,15H2,1-3H3/b18-16+