(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(dimethylamino)-5-nitro-benzoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C20H17ClN2O6 MolecularWeight: 416.81178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N(C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N(C)C)Cl

InChI

InChI=1S/C20H17ClN2O6/c1-11-6-18-14(9-16(11)21)12(7-19(24)29-18)10-28-20(25)15-8-13(23(26)27)4-5-17(15)22(2)3/h4-9H,10H2,1-3H3