3,3-dimethyl-5-[(4-methyl-2-nitro-phenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3,3-dimethyl-5-[(4-methyl-2-nitro-phenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: 3,3-dimethyl-5-(4-methyl-2-nitro-anilino)-5-oxo-pentanoate CAS Name: 3,3-dimethyl-5-(4-methyl-2-nitroanilino)-5-oxopentanoate IUPAC Name: 3,3-dimethyl-5-(4-methyl-2-nitroanilino)-5-oxopentanoate Traditional Name: 5-keto-3,3-dimethyl-5-(4-methyl-2-nitro-anilino)valerate Formula: C14H17N2O5- MolecularWeight: 293.29518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-9-4-5-10(11(6-9)16(20)21)15-12(17)7-14(2,3)8-13(18)19/h4-6H,7-8H2,1-3H3,(H,15,17)(H,18,19)/p-1