methyl 4-[3-(3-nitro-2-oxidanyl-4-oxidanylidene-chromen-7-yl)oxypropoxy]benzoate

Systemtic Name: methyl 4-[3-(3-nitro-2-oxidanyl-4-oxidanylidene-chromen-7-yl)oxypropoxy]benzoate Openeye Name: methyl 4-[3-(2-hydroxy-3-nitro-4-oxo-chromen-7-yl)oxypropoxy]benzoate CAS Name: 4-[3-[(2-hydroxy-3-nitro-4-oxo-1-benzopyran-7-yl)oxy]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(2-hydroxy-3-nitro-4-oxochromen-7-yl)oxypropoxy]benzoate Traditional Name: 4-[3-(2-hydroxy-4-keto-3-nitro-chromen-7-yl)oxypropoxy]benzoic acid methyl ester Formula: C20H17NO9 MolecularWeight: 415.35028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCCCOC2=CC3=C(C=C2)C(=O)C(=C(O3)O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCCCOC2=CC3=C(C=C2)C(=O)C(=C(O3)O)[N+](=O)[O-]

InChI

InChI=1S/C20H17NO9/c1-27-19(23)12-3-5-13(6-4-12)28-9-2-10-29-14-7-8-15-16(11-14)30-20(24)17(18(15)22)21(25)26/h3-8,11,24H,2,9-10H2,1H3