[2-[ethanoyl(phenyl)amino]-1,3-thiazol-4-yl]methyl 2-chloranyl-4-nitro-benzoate

Systemtic Name: [2-[ethanoyl(phenyl)amino]-1,3-thiazol-4-yl]methyl 2-chloranyl-4-nitro-benzoate Openeye Name: [2-(N-acetylanilino)thiazol-4-yl]methyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-(N-acetylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-(N-acetylanilino)thiazol-4-yl]methyl ester Formula: C19H14ClN3O5S MolecularWeight: 431.84956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H14ClN3O5S/c1-12(24)22(14-5-3-2-4-6-14)19-21-13(11-29-19)10-28-18(25)16-8-7-15(23(26)27)9-17(16)20/h2-9,11H,10H2,1H3