3-[(Z)-3-[(2-butyl-6-nitro-3-oxidanyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-ethoxy-prop-1-enoxy]prop-1-en-1-one

Systemtic Name: 3-[(Z)-3-[(2-butyl-6-nitro-3-oxidanyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-ethoxy-prop-1-enoxy]prop-1-en-1-one Openeye Name: 3-[(Z)-3-[(2-butyl-3-hydroxy-6-nitro-chroman-4-yl)amino]-2-ethoxy-prop-1-enoxy]prop-1-en-1-one CAS Name: 3-[(Z)-3-[(2-butyl-3-hydroxy-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl)amino]-2-ethoxyprop-1-enoxy]-1-propen-1-one IUPAC Name: 3-[(Z)-3-[(2-butyl-3-hydroxy-6-nitro-3,4-dihydro-2H-chromen-4-yl)amino]-2-ethoxyprop-1-enoxy]prop-1-en-1-one Traditional Name: 3-[(Z)-3-[(2-butyl-3-hydroxy-6-nitro-chroman-4-yl)amino]-2-ethoxy-prop-1-enoxy]prop-1-en-1-one Formula: C21H28N2O7 MolecularWeight: 420.45622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])NCC(=COCC=C=O)OCC)O

Isomeric SMILES

CCCCC1C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])NC/C(=C/OCC=C=O)/OCC)O

InChI

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