5-[[2-(methylamino)-5-nitro-phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[2-(methylamino)-5-nitro-phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[2-(methylamino)-5-nitro-anilino]-5-oxo-pentanoate CAS Name: 5-[2-(methylamino)-5-nitroanilino]-5-oxopentanoate IUPAC Name: 5-[2-(methylamino)-5-nitroanilino]-5-oxopentanoate Traditional Name: 5-keto-5-[2-(methylamino)-5-nitro-anilino]valerate Formula: C12H14N3O5- MolecularWeight: 280.25666

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCCC(=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCCC(=O)[O-]

InChI

InChI=1S/C12H15N3O5/c1-13-9-6-5-8(15(19)20)7-10(9)14-11(16)3-2-4-12(17)18/h5-7,13H,2-4H2,1H3,(H,14,16)(H,17,18)/p-1