[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H20N2O7 MolecularWeight: 352.3392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O7/c1-5-7-17-15(19)10(3)25-16(20)11-8-13(23-4)14(24-6-2)9-12(11)18(21)22/h5,8-10H,1,6-7H2,2-4H3,(H,17,19)