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

Systemtic Name: (2-methyl-1,3-thiazol-4-yl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (2-methylthiazol-4-yl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (2-methyl-4-thiazolyl)methyl ester IUPAC Name: (2-methyl-1,3-thiazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (2-methylthiazol-4-yl)methyl ester Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5S/c1-11-17-13(10-25-11)9-24-16(20)12-2-3-14(15(8-12)19(21)22)18-4-6-23-7-5-18/h2-3,8,10H,4-7,9H2,1H3