3-[4-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-phenyl]propanoic acid

Systemtic Name: 3-[4-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-phenyl]propanoic acid CAS Name: 3-[4-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-3-methylphenyl]propanoic acid IUPAC Name: 3-[4-[(4-chloro-3-nitrobenzoyl)amino]-3-methylphenyl]propanoic acid Traditional Name: 3-[4-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-phenyl]propionic acid Formula: C17H15ClN2O5 MolecularWeight: 362.7644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CCC(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)CCC(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN2O5/c1-10-8-11(3-7-16(21)22)2-6-14(10)19-17(23)12-4-5-13(18)15(9-12)20(24)25/h2,4-6,8-9H,3,7H2,1H3,(H,19,23)(H,21,22)