[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 4-(methylamino)-3-nitro-benzoate Openeye Name: 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-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] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl ester Formula: C16H18N4O6 MolecularWeight: 362.33732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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