methyl 3-nitro-4-[2-oxidanylidene-2-(pentan-2-ylamino)ethoxy]benzoate

Systemtic Name: methyl 3-nitro-4-[2-oxidanylidene-2-(pentan-2-ylamino)ethoxy]benzoate Openeye Name: methyl 4-[2-(1-methylbutylamino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 3-nitro-4-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoate Traditional Name: 4-[2-keto-2-(1-methylbutylamino)ethoxy]-3-nitro-benzoic acid methyl ester Formula: C15H20N2O6 MolecularWeight: 324.3291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O6/c1-4-5-10(2)16-14(18)9-23-13-7-6-11(15(19)22-3)8-12(13)17(20)21/h6-8,10H,4-5,9H2,1-3H3,(H,16,18)