[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-azanyl-4-nitro-benzoate

Systemtic Name: [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-azanyl-4-nitro-benzoate Openeye Name: [2-(2-chlorophenyl)thiazol-4-yl]methyl 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [2-(2-chlorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [2-(2-chlorophenyl)thiazol-4-yl]methyl ester Formula: C17H12ClN3O4S MolecularWeight: 389.81288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClN3O4S/c18-14-4-2-1-3-12(14)16-20-10(9-26-16)8-25-17(22)13-6-5-11(21(23)24)7-15(13)19/h1-7,9H,8,19H2