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

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C14H14N4O5S MolecularWeight: 350.34976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O5S/c1-8(19)16-14-17-10(7-24-14)6-23-13(20)9-3-4-11(15-2)12(5-9)18(21)22/h3-5,7,15H,6H2,1-2H3,(H,16,17,19)