[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-ethoxy-3-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6/c1-2-25-16-9-8-14(10-15(16)20(23)24)18(22)26-12-17(21)19-11-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H,19,21)