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

Systemtic Name: [2,2-dimethyl-6-nitro-4-(5-oxidanylidene-3-phenylmethoxy-2H-pyrrol-1-yl)-3,4-dihydrochromen-3-yl] ethanoate Openeye Name: [4-(3-benzyloxy-5-oxo-2H-pyrrol-1-yl)-2,2-dimethyl-6-nitro-chroman-3-yl] acetate CAS Name: acetic acid [2,2-dimethyl-6-nitro-4-(5-oxo-3-phenylmethoxy-2H-pyrrol-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [2,2-dimethyl-6-nitro-4-(5-oxo-3-phenylmethoxy-2H-pyrrol-1-yl)-3,4-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [4-(4-benzoxy-2-keto-3-pyrrolin-1-yl)-2,2-dimethyl-6-nitro-chroman-3-yl] ester Formula: C24H24N2O7 MolecularWeight: 452.45656

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C2=C(C=CC(=C2)[N+](=O)[O-])OC1(C)C)N3CC(=CC3=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(=O)OC1C(C2=C(C=CC(=C2)[N+](=O)[O-])OC1(C)C)N3CC(=CC3=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H24N2O7/c1-15(27)32-23-22(19-11-17(26(29)30)9-10-20(19)33-24(23,2)3)25-13-18(12-21(25)28)31-14-16-7-5-4-6-8-16/h4-12,22-23H,13-14H2,1-3H3