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

Systemtic Name: methyl 4-[2-(3-methylbutylamino)-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(isopentylamino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(3-methylbutylamino)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(3-methylbutylamino)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(isoamylamino)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C15H20N2O6 MolecularWeight: 324.3291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O6/c1-10(2)6-7-16-14(18)9-23-13-5-4-11(15(19)22-3)8-12(13)17(20)21/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,18)