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

Systemtic Name: 3-[(E)-2-butoxy-3-[(2,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)amino]prop-1-enoxy]prop-1-en-1-one Openeye Name: 3-[(E)-2-butoxy-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-butoxy-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-butoxy-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-butoxy-3-[(3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl)amino]prop-1-enoxy]prop-1-en-1-one Formula: C21H28N2O7 MolecularWeight: 420.45622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O7/c1-4-5-11-29-16(14-28-10-6-9-24)13-22-19-17-12-15(23(26)27)7-8-18(17)30-21(2,3)20(19)25/h6-8,12,14,19-20,22,25H,4-5,10-11,13H2,1-3H3/b16-14+