(2-cyanophenyl)methyl (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate

Systemtic Name: (2-cyanophenyl)methyl (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate Openeye Name: (2-cyanophenyl)methyl (2S)-2-[(3-nitrobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-nitrophenyl)-oxomethyl]amino]propanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl (2S)-2-[(3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(3-nitrobenzoyl)amino]propionic acid (2-cyanobenzyl) ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1C#N)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=CC=C1C#N)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5/c1-12(18(23)26-11-15-6-3-2-5-14(15)10-19)20-17(22)13-7-4-8-16(9-13)21(24)25/h2-9,12H,11H2,1H3,(H,20,22)/t12-/m0/s1