[6-chloranyl-2-(3,4-dimethoxyphenyl)-4-oxidanylidene-chromen-3-yl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [6-chloranyl-2-(3,4-dimethoxyphenyl)-4-oxidanylidene-chromen-3-yl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-chromen-3-yl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [6-chloro-2-(3,4-dimethoxyphenyl)-4-oxochromen-3-yl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [6-chloro-2-(3,4-dimethoxyphenyl)-4-keto-chromen-3-yl] ester Formula: C26H21ClN2O8 MolecularWeight: 524.90654

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OC2=C(OC3=C(C2=O)C=C(C=C3)Cl)C4=CC(=C(C=C4)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OC2=C(OC3=C(C2=O)C=C(C=C3)Cl)C4=CC(=C(C=C4)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C26H21ClN2O8/c1-28(2)18-8-5-15(11-19(18)29(32)33)26(31)37-25-23(30)17-13-16(27)7-10-20(17)36-24(25)14-6-9-21(34-3)22(12-14)35-4/h5-13H,1-4H3