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

Systemtic Name: [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-azanyl-3-nitro-benzoate Openeye Name: [2-(2-chlorophenyl)thiazol-4-yl]methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-(2-chlorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-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=CC(=C(C=C3)N)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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