[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C19H16N4O6 MolecularWeight: 396.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H16N4O6/c1-12(21-18(25)13-5-3-2-4-6-13)19(26)29-11-17(24)22-16-8-7-15(23(27)28)9-14(16)10-20/h2-9,12H,11H2,1H3,(H,21,25)(H,22,24)/t12-/m0/s1