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

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C12H7ClN4O7S MolecularWeight: 386.72458

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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+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C12H7ClN4O7S/c13-7-2-1-6(3-8(7)16(20)21)11(19)24-5-9(18)15-12-14-4-10(25-12)17(22)23/h1-4H,5H2,(H,14,15,18)