1-(2,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)-3-dodecoxy-2H-pyrrol-5-one

Systemtic Name: 1-(2,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)-3-dodecoxy-2H-pyrrol-5-one Openeye Name: 3-dodecoxy-1-(3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl)-2H-pyrrol-5-one CAS Name: 3-dodecoxy-1-(3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl)-2H-pyrrol-5-one IUPAC Name: 3-dodecoxy-1-(3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl)-2H-pyrrol-5-one Traditional Name: 1-(3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl)-4-lauryloxy-3-pyrrolin-2-one Formula: C27H40N2O6 MolecularWeight: 488.6163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=O)N(C1)C2C(C(OC3=C2C=C(C=C3)[N+](=O)[O-])(C)C)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=O)N(C1)C2C(C(OC3=C2C=C(C=C3)[N+](=O)[O-])(C)C)O

InChI

InChI=1S/C27H40N2O6/c1-4-5-6-7-8-9-10-11-12-13-16-34-21-18-24(30)28(19-21)25-22-17-20(29(32)33)14-15-23(22)35-27(2,3)26(25)31/h14-15,17-18,25-26,31H,4-13,16,19H2,1-3H3