2-[(2,4-dimethylphenyl)carbamoyl]-3-nitro-benzoate

Systemtic Name: 2-[(2,4-dimethylphenyl)carbamoyl]-3-nitro-benzoate Openeye Name: 2-[(2,4-dimethylphenyl)carbamoyl]-3-nitro-benzoate CAS Name: 2-[(2,4-dimethylanilino)-oxomethyl]-3-nitrobenzoate IUPAC Name: 2-[(2,4-dimethylphenyl)carbamoyl]-3-nitrobenzoate Traditional Name: 2-[(2,4-dimethylphenyl)carbamoyl]-3-nitro-benzoate Formula: C16H13N2O5- MolecularWeight: 313.28482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O5/c1-9-6-7-12(10(2)8-9)17-15(19)14-11(16(20)21)4-3-5-13(14)18(22)23/h3-8H,1-2H3,(H,17,19)(H,20,21)/p-1