5-[(2-methoxy-4-nitro-phenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(2-methoxy-4-nitro-phenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(2-methoxy-4-nitro-anilino)-5-oxo-pentanoic acid CAS Name: 5-(2-methoxy-4-nitroanilino)-5-oxopentanoic acid IUPAC Name: 5-(2-methoxy-4-nitroanilino)-5-oxopentanoic acid Traditional Name: 5-keto-5-(2-methoxy-4-nitro-anilino)valeric acid Formula: C12H14N2O6 MolecularWeight: 282.24936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCCC(=O)O

InChI

InChI=1S/C12H14N2O6/c1-20-10-7-8(14(18)19)5-6-9(10)13-11(15)3-2-4-12(16)17/h5-7H,2-4H2,1H3,(H,13,15)(H,16,17)