[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [2-(3-methoxyphenyl)thiazol-4-yl]methyl 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [2-(3-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [2-(3-methoxyphenyl)thiazol-4-yl]methyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CSC(=N2)C3=CC(=CC=C3)OC

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CSC(=N2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H19N3O5S/c1-22(2)18-8-7-15(23(25)26)10-17(18)20(24)28-11-14-12-29-19(21-14)13-5-4-6-16(9-13)27-3/h4-10,12H,11H2,1-3H3