[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 5-amino-3-methyl-isoxazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isoxazolecarboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isoxazole-4-carboxylic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C13H11BrN4O6 MolecularWeight: 399.15364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)N

Isomeric SMILES

CC1=NOC(=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)N

InChI

InChI=1S/C13H11BrN4O6/c1-6-11(12(15)24-17-6)13(20)23-5-10(19)16-9-3-2-7(18(21)22)4-8(9)14/h2-4H,5,15H2,1H3,(H,16,19)