2-[[3-(3,4-dimethylphenoxy)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: 2-[[3-(3,4-dimethylphenoxy)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: 2-[[3-(3,4-dimethylphenoxy)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 2-[[3-(3,4-dimethylphenoxy)anilino]-oxomethyl]-5-nitrobenzoate IUPAC Name: 2-[[3-(3,4-dimethylphenoxy)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 2-[[3-(3,4-dimethylphenoxy)phenyl]carbamoyl]-5-nitro-benzoate Formula: C22H17N2O6- MolecularWeight: 405.38018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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