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

Systemtic Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 2-nitrobenzoate Openeye Name: 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl 2-nitrobenzoate CAS Name: 2-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-nitrobenzoate Traditional Name: 2-nitrobenzoic acid 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl ester Formula: C15H15N3O6 MolecularWeight: 333.2961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O6/c1-3-12(14(19)16-13-8-9(2)24-17-13)23-15(20)10-6-4-5-7-11(10)18(21)22/h4-8,12H,3H2,1-2H3,(H,16,17,19)