2-[(5-methyl-2,4-dinitro-phenyl)amino]-3,3-diphenyl-propanoic acid

Systemtic Name: 2-[(5-methyl-2,4-dinitro-phenyl)amino]-3,3-diphenyl-propanoic acid Openeye Name: 2-(5-methyl-2,4-dinitro-anilino)-3,3-diphenyl-propanoic acid CAS Name: 2-(5-methyl-2,4-dinitroanilino)-3,3-diphenylpropanoic acid IUPAC Name: 2-(5-methyl-2,4-dinitroanilino)-3,3-diphenylpropanoic acid Traditional Name: 2-(5-methyl-2,4-dinitro-anilino)-3,3-diphenyl-propionic acid Formula: C22H19N3O6 MolecularWeight: 421.40276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H19N3O6/c1-14-12-17(19(25(30)31)13-18(14)24(28)29)23-21(22(26)27)20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,20-21,23H,1H3,(H,26,27)