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

Systemtic Name: 2-[[3-(3-methylphenoxy)-5-nitro-phenyl]carbamoyl]benzoate Openeye Name: 2-[[3-(3-methylphenoxy)-5-nitro-phenyl]carbamoyl]benzoate CAS Name: 2-[[3-(3-methylphenoxy)-5-nitroanilino]-oxomethyl]benzoate IUPAC Name: 2-[[3-(3-methylphenoxy)-5-nitrophenyl]carbamoyl]benzoate Traditional Name: 2-[[3-(3-methylphenoxy)-5-nitro-phenyl]carbamoyl]benzoate Formula: C21H15N2O6- MolecularWeight: 391.3536

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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)/p-1