[2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] pentanoate

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] pentanoate Openeye Name: [2-(2,6-dibromo-4-nitro-anilino)-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] pentanoate Traditional Name: valeric acid [2-(2,6-dibromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C13H14Br2N2O5 MolecularWeight: 438.06866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC(=O)NC1=C(C=C(C=C1Br)[N+](=O)[O-])Br

Isomeric SMILES

CCCCC(=O)OCC(=O)NC1=C(C=C(C=C1Br)[N+](=O)[O-])Br

InChI

InChI=1S/C13H14Br2N2O5/c1-2-3-4-12(19)22-7-11(18)16-13-9(14)5-8(17(20)21)6-10(13)15/h5-6H,2-4,7H2,1H3,(H,16,18)