(2S)-2-azanyl-N-[(2S)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]propanamide

Systemtic Name: (2S)-2-azanyl-N-[(2S)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]propanamide Openeye Name: (2S)-2-amino-N-[(1S)-1-methyl-2-(4-nitroanilino)-2-oxo-ethyl]propanamide CAS Name: (2S)-2-amino-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]propanamide IUPAC Name: (2S)-2-amino-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]propanamide Traditional Name: (2S)-2-amino-N-[(1S)-2-keto-1-methyl-2-(4-nitroanilino)ethyl]propionamide Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N

InChI

InChI=1S/C12H16N4O4/c1-7(13)11(17)14-8(2)12(18)15-9-3-5-10(6-4-9)16(19)20/h3-8H,13H2,1-2H3,(H,14,17)(H,15,18)/t7-,8-/m0/s1