(2-phenyl-1,3-thiazol-4-yl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid (2-phenylthiazol-4-yl)methyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5S/c1-27-10-9-21-17-8-7-15(11-18(17)23(25)26)20(24)28-12-16-13-29-19(22-16)14-5-3-2-4-6-14/h2-8,11,13,21H,9-10,12H2,1H3