(2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-nitrobenzoate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-nitrobenzoate Openeye Name: (2-anilinothiazol-4-yl)methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (2-anilinothiazol-4-yl)methyl ester Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O4S/c21-16(14-8-4-5-9-15(14)20(22)23)24-10-13-11-25-17(19-13)18-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,18,19)