(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-chloranyl-2-nitro-phenoxy)benzoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-chloranyl-2-nitro-phenoxy)benzoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 4-(4-chloro-2-nitro-phenoxy)benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)benzoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 4-(4-chloro-2-nitrophenoxy)benzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)benzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C25H18ClNO7 MolecularWeight: 479.86592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C25H18ClNO7/c1-14-3-9-20-17(11-23(28)34-24(20)15(14)2)13-32-25(29)16-4-7-19(8-5-16)33-22-10-6-18(26)12-21(22)27(30)31/h3-12H,13H2,1-2H3