[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C17H24N2O7 MolecularWeight: 368.38166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O7/c1-5-11(6-2)18-16(20)10-26-17(21)12-8-14(24-4)15(25-7-3)9-13(12)19(22)23/h8-9,11H,5-7,10H2,1-4H3,(H,18,20)