[2-[(2-chloranyl-4,6-dimethyl-phenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[(2-chloranyl-4,6-dimethyl-phenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 4-azanyl-3-nitro-benzoate Openeye Name: [2-(N-acetyl-2-chloro-4,6-dimethyl-anilino)thiazol-4-yl]methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-(N-acetyl-2-chloro-4,6-dimethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-(N-acetyl-2-chloro-4,6-dimethyl-anilino)thiazol-4-yl]methyl ester Formula: C21H19ClN4O5S MolecularWeight: 474.91736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)N(C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-])C(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)N(C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-])C(=O)C)C

InChI

InChI=1S/C21H19ClN4O5S/c1-11-6-12(2)19(16(22)7-11)25(13(3)27)21-24-15(10-32-21)9-31-20(28)14-4-5-17(23)18(8-14)26(29)30/h4-8,10H,9,23H2,1-3H3