2-(4-chlorophenyl)-3-[(2-methyl-4-nitro-phenyl)amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 2-(4-chlorophenyl)-3-[(2-methyl-4-nitro-phenyl)amino]-3-oxidanylidene-propanoic acid Openeye Name: 2-(4-chlorophenyl)-3-(2-methyl-4-nitro-anilino)-3-oxo-propanoic acid CAS Name: 2-(4-chlorophenyl)-3-(2-methyl-4-nitroanilino)-3-oxopropanoic acid IUPAC Name: 2-(4-chlorophenyl)-3-(2-methyl-4-nitroanilino)-3-oxopropanoic acid Traditional Name: 2-(4-chlorophenyl)-3-keto-3-(2-methyl-4-nitro-anilino)propionic acid Formula: C16H13ClN2O5 MolecularWeight: 348.73782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O5/c1-9-8-12(19(23)24)6-7-13(9)18-15(20)14(16(21)22)10-2-4-11(17)5-3-10/h2-8,14H,1H3,(H,18,20)(H,21,22)