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

Systemtic Name: 5-[(2-methyl-5-nitro-phenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: 5-(2-methyl-5-nitro-anilino)-5-oxo-pentanoate CAS Name: 5-(2-methyl-5-nitroanilino)-5-oxopentanoate IUPAC Name: 5-(2-methyl-5-nitroanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(2-methyl-5-nitro-anilino)valerate Formula: C12H13N2O5- MolecularWeight: 265.24202

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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)/p-1