N-[(2S)-1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-nitro-benzamide

Systemtic Name: N-[(2S)-1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-nitro-benzamide Openeye Name: N-[(1S)-1-benzyl-2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl]-4-nitro-benzamide CAS Name: N-[(2S)-1-(2-chloro-4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]-4-nitrobenzamide IUPAC Name: N-[(2S)-1-(2-chloro-4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]-4-nitrobenzamide Traditional Name: N-[(1S)-1-benzyl-2-(2-chloro-4-nitro-anilino)-2-keto-ethyl]-4-nitro-benzamide Formula: C22H17ClN4O6 MolecularWeight: 468.84658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H17ClN4O6/c23-18-13-17(27(32)33)10-11-19(18)24-22(29)20(12-14-4-2-1-3-5-14)25-21(28)15-6-8-16(9-7-15)26(30)31/h1-11,13,20H,12H2,(H,24,29)(H,25,28)/t20-/m0/s1