[4-(3-dodecoxy-5-oxidanylidene-2H-pyrrol-1-yl)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-yl] ethanoate

Systemtic Name: [4-(3-dodecoxy-5-oxidanylidene-2H-pyrrol-1-yl)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-yl] ethanoate Openeye Name: [4-(3-dodecoxy-5-oxo-2H-pyrrol-1-yl)-2,2-dimethyl-6-nitro-chroman-3-yl] acetate CAS Name: acetic acid [4-(3-dodecoxy-5-oxo-2H-pyrrol-1-yl)-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [4-(3-dodecoxy-5-oxo-2H-pyrrol-1-yl)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [4-(2-keto-4-lauryloxy-3-pyrrolin-1-yl)-2,2-dimethyl-6-nitro-chroman-3-yl] ester Formula: C29H42N2O7 MolecularWeight: 530.65298

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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)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C29H42N2O7/c1-5-6-7-8-9-10-11-12-13-14-17-36-23-19-26(33)30(20-23)27-24-18-22(31(34)35)15-16-25(24)38-29(3,4)28(27)37-21(2)32/h15-16,18-19,27-28H,5-14,17,20H2,1-4H3