methyl 3-nitro-4-[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethoxy]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C[C@H](CNC(=O)COC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C19H20N2O6/c1-13(14-6-4-3-5-7-14)11-20-18(22)12-27-17-9-8-15(19(23)26-2)10-16(17)21(24)25/h3-10,13H,11-12H2,1-2H3,(H,20,22)/t13-/m1/s1