methyl 2-[2-cyano-3-(methylamino)-4-nitro-phenyl]-2-methyl-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-[2-cyano-3-(methylamino)-4-nitro-phenyl]-2-methyl-3-oxidanylidene-butanoate Openeye Name: methyl 2-[2-cyano-3-(methylamino)-4-nitro-phenyl]-2-methyl-3-oxo-butanoate CAS Name: 2-[2-cyano-3-(methylamino)-4-nitrophenyl]-2-methyl-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-[2-cyano-3-(methylamino)-4-nitrophenyl]-2-methyl-3-oxobutanoate Traditional Name: 2-[2-cyano-3-(methylamino)-4-nitro-phenyl]-3-keto-2-methyl-butyric acid methyl ester Formula: C14H15N3O5 MolecularWeight: 305.286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O5/c1-8(18)14(2,13(19)22-4)10-5-6-11(17(20)21)12(16-3)9(10)7-15/h5-6,16H,1-4H3