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

Systemtic Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 2-(methylamino)-5-nitro-benzoate Openeye Name: 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-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-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl ester Formula: C16H18N4O6 MolecularWeight: 362.33732

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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-])NC

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O6/c1-4-13(15(21)18-14-7-9(2)26-19-14)25-16(22)11-8-10(20(23)24)5-6-12(11)17-3/h5-8,13,17H,4H2,1-3H3,(H,18,19,21)