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

Systemtic Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-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-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl ester Formula: C17H20N4O6 MolecularWeight: 376.3639

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O6/c1-5-14(16(22)18-15-8-10(2)27-19-15)26-17(23)11-6-7-12(20(3)4)13(9-11)21(24)25/h6-9,14H,5H2,1-4H3,(H,18,19,22)