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

Systemtic Name: [4-(3-butoxy-5-oxidanylidene-2H-pyrrol-1-yl)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-yl] ethanoate Openeye Name: [4-(3-butoxy-5-oxo-2H-pyrrol-1-yl)-2,2-dimethyl-6-nitro-chroman-3-yl] acetate CAS Name: acetic acid [4-(3-butoxy-5-oxo-2H-pyrrol-1-yl)-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [4-(3-butoxy-5-oxo-2H-pyrrol-1-yl)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [4-(4-butoxy-2-keto-3-pyrrolin-1-yl)-2,2-dimethyl-6-nitro-chroman-3-yl] ester Formula: C21H26N2O7 MolecularWeight: 418.44034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=O)N(C1)C2C(C(OC3=C2C=C(C=C3)[N+](=O)[O-])(C)C)OC(=O)C

Isomeric SMILES

CCCCOC1=CC(=O)N(C1)C2C(C(OC3=C2C=C(C=C3)[N+](=O)[O-])(C)C)OC(=O)C

InChI

InChI=1S/C21H26N2O7/c1-5-6-9-28-15-11-18(25)22(12-15)19-16-10-14(23(26)27)7-8-17(16)30-21(3,4)20(19)29-13(2)24/h7-8,10-11,19-20H,5-6,9,12H2,1-4H3