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

Systemtic Name: [2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-oxo-2-(2-phenoxyethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-keto-2-(2-phenoxyethylamino)ethyl] ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCOC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCOC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6/c1-13-7-8-14(11-16(13)20(23)24)18(22)26-12-17(21)19-9-10-25-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3,(H,19,21)