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

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C12H9ClN4O5S MolecularWeight: 356.74166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN4O5S/c13-7-2-1-6(3-8(7)14)11(19)22-5-9(18)16-12-15-4-10(23-12)17(20)21/h1-4H,5,14H2,(H,15,16,18)