(2S)-2-[(2-cyano-4-nitro-phenyl)amino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[(2-cyano-4-nitro-phenyl)amino]-3-phenyl-propanoate Openeye Name: (2S)-2-(2-cyano-4-nitro-anilino)-3-phenyl-propanoate CAS Name: (2S)-2-(2-cyano-4-nitroanilino)-3-phenylpropanoate IUPAC Name: (2S)-2-(2-cyano-4-nitroanilino)-3-phenylpropanoate Traditional Name: (2S)-2-(2-cyano-4-nitro-anilino)-3-phenyl-propionate Formula: C16H12N3O4- MolecularWeight: 310.28418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H13N3O4/c17-10-12-9-13(19(22)23)6-7-14(12)18-15(16(20)21)8-11-4-2-1-3-5-11/h1-7,9,15,18H,8H2,(H,20,21)/p-1/t15-/m0/s1