(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-methyl-2-nitro-benzoate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-methyl-2-nitro-benzoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C20H17NO7 MolecularWeight: 383.35148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=C(C(=CC=C3)C)[N+](=O)[O-])O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=C(C(=CC=C3)C)[N+](=O)[O-])O

InChI

InChI=1S/C20H17NO7/c1-3-12-7-15-13(8-18(23)28-17(15)9-16(12)22)10-27-20(24)14-6-4-5-11(2)19(14)21(25)26/h4-9,22H,3,10H2,1-2H3