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

Systemtic Name: [4-(3-hexoxy-5-oxidanylidene-2H-pyrrol-1-yl)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-yl] ethanoate Openeye Name: [4-(3-hexoxy-5-oxo-2H-pyrrol-1-yl)-2,2-dimethyl-6-nitro-chroman-3-yl] acetate CAS Name: acetic acid [4-(3-hexoxy-5-oxo-2H-pyrrol-1-yl)-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [4-(3-hexoxy-5-oxo-2H-pyrrol-1-yl)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [4-(4-hexoxy-2-keto-3-pyrrolin-1-yl)-2,2-dimethyl-6-nitro-chroman-3-yl] ester Formula: C23H30N2O7 MolecularWeight: 446.4935

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=O)N(C1)C2C(C(OC3=C2C=C(C=C3)[N+](=O)[O-])(C)C)OC(=O)C

Isomeric SMILES

CCCCCCOC1=CC(=O)N(C1)C2C(C(OC3=C2C=C(C=C3)[N+](=O)[O-])(C)C)OC(=O)C

InChI

InChI=1S/C23H30N2O7/c1-5-6-7-8-11-30-17-13-20(27)24(14-17)21-18-12-16(25(28)29)9-10-19(18)32-23(3,4)22(21)31-15(2)26/h9-10,12-13,21-22H,5-8,11,14H2,1-4H3