2-[[4-(3,4-dimethylphenoxy)phenyl]carbamoyl]-3-nitro-benzoic acid

Systemtic Name: 2-[[4-(3,4-dimethylphenoxy)phenyl]carbamoyl]-3-nitro-benzoic acid Openeye Name: 2-[[4-(3,4-dimethylphenoxy)phenyl]carbamoyl]-3-nitro-benzoic acid CAS Name: 2-[[4-(3,4-dimethylphenoxy)anilino]-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[[4-(3,4-dimethylphenoxy)phenyl]carbamoyl]-3-nitrobenzoic acid Traditional Name: 2-[[4-(3,4-dimethylphenoxy)phenyl]carbamoyl]-3-nitro-benzoic acid Formula: C22H18N2O6 MolecularWeight: 406.38812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C22H18N2O6/c1-13-6-9-17(12-14(13)2)30-16-10-7-15(8-11-16)23-21(25)20-18(22(26)27)4-3-5-19(20)24(28)29/h3-12H,1-2H3,(H,23,25)(H,26,27)