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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C15H20N2O7 MolecularWeight: 340.3285

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)NC(C)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)NC(C)C)[N+](=O)[O-])OC

InChI

InChI=1S/C15H20N2O7/c1-5-23-13-6-10(11(17(20)21)7-12(13)22-4)15(19)24-8-14(18)16-9(2)3/h6-7,9H,5,8H2,1-4H3,(H,16,18)