2-[[3-(3-methylphenoxy)-5-nitro-phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-(3-methylphenoxy)-5-nitro-phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[3-(3-methylphenoxy)-5-nitro-phenyl]carbamoyl]benzoic acid CAS Name: 2-[[3-(3-methylphenoxy)-5-nitroanilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-(3-methylphenoxy)-5-nitrophenyl]carbamoyl]benzoic acid Traditional Name: 2-[[3-(3-methylphenoxy)-5-nitro-phenyl]carbamoyl]benzoic acid Formula: C21H16N2O6 MolecularWeight: 392.36154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H16N2O6/c1-13-5-4-6-16(9-13)29-17-11-14(10-15(12-17)23(27)28)22-20(24)18-7-2-3-8-19(18)21(25)26/h2-12H,1H3,(H,22,24)(H,25,26)