[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C16H22N2O7 MolecularWeight: 354.35508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O7/c1-5-10(6-2)17-15(19)9-25-16(20)11-7-13(23-3)14(24-4)8-12(11)18(21)22/h7-8,10H,5-6,9H2,1-4H3,(H,17,19)