methyl 4-[[(2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propanoyl]amino]benzoate

Systemtic Name: methyl 4-[[(2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propanoyl]amino]benzoate Openeye Name: methyl 4-[[(2S)-2-[(4-chloro-3-nitro-benzoyl)amino]propanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-[(4-chloro-3-nitrobenzoyl)amino]propanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-[(4-chloro-3-nitro-benzoyl)amino]propanoyl]amino]benzoic acid methyl ester Formula: C18H16ClN3O6 MolecularWeight: 405.78914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O6/c1-10(16(23)21-13-6-3-11(4-7-13)18(25)28-2)20-17(24)12-5-8-14(19)15(9-12)22(26)27/h3-10H,1-2H3,(H,20,24)(H,21,23)/t10-/m0/s1