(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-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 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-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=CC(=C(C=C3)N(C)C)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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