3-[(E)-3-[(2,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)amino]-2-dodecoxy-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-dodecoxy-prop-1-enoxy]prop-1-en-1-one Openeye Name: 3-[(E)-2-dodecoxy-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-dodecoxy-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-dodecoxy-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)-3-[(3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl)amino]-2-lauryloxy-prop-1-enoxy]prop-1-en-1-one Formula: C29H44N2O7 MolecularWeight: 532.66886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44N2O7/c1-4-5-6-7-8-9-10-11-12-13-19-37-24(22-36-18-14-17-32)21-30-27-25-20-23(31(34)35)15-16-26(25)38-29(2,3)28(27)33/h14-16,20,22,27-28,30,33H,4-13,18-19,21H2,1-3H3/b24-22+