[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 2-chloranyl-5-nitro-benzoate Openeye Name: 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [1-[(5-methyl-3-isoxazolyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl ester Formula: C15H14ClN3O6 MolecularWeight: 367.74116

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H14ClN3O6/c1-3-12(14(20)17-13-6-8(2)25-18-13)24-15(21)10-7-9(19(22)23)4-5-11(10)16/h4-7,12H,3H2,1-2H3,(H,17,18,20)