5-[4-(methylamino)-3-nitro-phenyl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-(methylamino)-3-nitro-phenyl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(methylamino)-3-nitro-phenyl]-5-oxo-pentanoic acid CAS Name: 5-[4-(methylamino)-3-nitrophenyl]-5-oxopentanoic acid IUPAC Name: 5-[4-(methylamino)-3-nitrophenyl]-5-oxopentanoic acid Traditional Name: 5-keto-5-[4-(methylamino)-3-nitro-phenyl]valeric acid Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5/c1-13-9-6-5-8(7-10(9)14(18)19)11(15)3-2-4-12(16)17/h5-7,13H,2-4H2,1H3,(H,16,17)