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

Systemtic Name: 5-[(2-methyl-5-nitro-phenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(2-methyl-5-nitro-anilino)-5-oxo-pentanoic acid CAS Name: 5-(2-methyl-5-nitroanilino)-5-oxopentanoic acid IUPAC Name: 5-(2-methyl-5-nitroanilino)-5-oxopentanoic acid Traditional Name: 5-keto-5-(2-methyl-5-nitro-anilino)valeric acid Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCCC(=O)O

InChI

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