[2-[(5-bromanyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [2-[(5-bromanyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-[(5-bromothiazol-2-yl)amino]-2-oxo-ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-[(5-bromo-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-[(5-bromothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C12H7BrClN3O5S MolecularWeight: 420.62308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC(=O)NC2=NC=C(S2)Br)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC(=O)NC2=NC=C(S2)Br)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H7BrClN3O5S/c13-9-4-15-12(23-9)16-10(18)5-22-11(19)6-1-2-7(14)8(3-6)17(20)21/h1-4H,5H2,(H,15,16,18)