[2-butyl-4-(3-ethoxy-5-oxidanylidene-2H-pyrrol-1-yl)-6-nitro-3,4-dihydro-2H-chromen-3-yl] ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3CC(=CC3=O)OCC)OC(=O)C

Isomeric SMILES

CCCCC1C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3CC(=CC3=O)OCC)OC(=O)C

InChI

InChI=1S/C21H26N2O7/c1-4-6-7-18-21(29-13(3)24)20(22-12-15(28-5-2)11-19(22)25)16-10-14(23(26)27)8-9-17(16)30-18/h8-11,18,20-21H,4-7,12H2,1-3H3