(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H18ClNO8 MolecularWeight: 447.82252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)Cl

InChI

InChI=1S/C21H18ClNO8/c1-4-11-5-17-13(7-15(11)22)12(6-20(24)31-17)10-30-21(25)14-8-18(28-2)19(29-3)9-16(14)23(26)27/h5-9H,4,10H2,1-3H3