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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O5/c1-10(2)6-7-16-14(18)9-22-15(19)12-4-5-13(17(20)21)11(3)8-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,18)