methyl 3-nitro-4-[2-oxidanylidene-2-(3-phenylpropylamino)ethoxy]benzoate

Systemtic Name: methyl 3-nitro-4-[2-oxidanylidene-2-(3-phenylpropylamino)ethoxy]benzoate Openeye Name: methyl 3-nitro-4-[2-oxo-2-(3-phenylpropylamino)ethoxy]benzoate CAS Name: 3-nitro-4-[2-oxo-2-(3-phenylpropylamino)ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[2-oxo-2-(3-phenylpropylamino)ethoxy]benzoate Traditional Name: 4-[2-keto-2-(3-phenylpropylamino)ethoxy]-3-nitro-benzoic acid methyl ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)NCCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NCCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6/c1-26-19(23)15-9-10-17(16(12-15)21(24)25)27-13-18(22)20-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,20,22)