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

Systemtic Name: methyl 4-[2-(2-methylpropylamino)-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(isobutylamino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(2-methylpropylamino)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(2-methylpropylamino)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(isobutylamino)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC(=O)COC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O6/c1-9(2)7-15-13(17)8-22-12-5-4-10(14(18)21-3)6-11(12)16(19)20/h4-6,9H,7-8H2,1-3H3,(H,15,17)