(2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: (2-anilinothiazol-4-yl)methyl 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid (2-anilinothiazol-4-yl)methyl ester Formula: C24H16ClN3O5S MolecularWeight: 493.91894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC=CC=C3C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC=CC=C3C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H16ClN3O5S/c25-20-11-10-15(12-21(20)28(31)32)22(29)18-8-4-5-9-19(18)23(30)33-13-17-14-34-24(27-17)26-16-6-2-1-3-7-16/h1-12,14H,13H2,(H,26,27)