2-[[[(2S)-2-[(2-chlorophenyl)carbonylamino]propanoyl]amino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[(2S)-2-[(2-chlorophenyl)carbonylamino]propanoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(2S)-2-[(2-chlorobenzoyl)amino]propanoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-1-oxopropyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(2S)-2-[(2-chlorobenzoyl)amino]propanoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(2S)-2-[(2-chlorobenzoyl)amino]propanoyl]amino]methyl]-4-nitro-phenolate Formula: C17H15ClN3O5- MolecularWeight: 376.7711

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])[O-])NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

C[C@@H](C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])[O-])NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C17H16ClN3O5/c1-10(20-17(24)13-4-2-3-5-14(13)18)16(23)19-9-11-8-12(21(25)26)6-7-15(11)22/h2-8,10,22H,9H2,1H3,(H,19,23)(H,20,24)/p-1/t10-/m0/s1