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

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-chloranyl-2-nitro-benzoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-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 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C19H14ClNO7 MolecularWeight: 403.76996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClNO7/c1-2-10-5-14-11(6-18(23)28-17(14)8-16(10)22)9-27-19(24)13-4-3-12(20)7-15(13)21(25)26/h3-8,22H,2,9H2,1H3