[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C19H20N4O6 MolecularWeight: 400.3853

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C(C)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)[C@H](C)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C19H20N4O6/c1-12-8-9-15(23(27)28)10-16(12)22-17(24)11-29-18(25)13(2)20-19(26)21-14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,22,24)(H2,20,21,26)/t13-/m0/s1