methyl 3-[(2,6-dimethylphenyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(2,6-dimethylphenyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(2,6-dimethylphenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[(2,6-dimethylanilino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(2,6-dimethylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2,6-dimethylphenyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5/c1-10-5-4-6-11(2)15(10)18-16(20)12-7-13(17(21)24-3)9-14(8-12)19(22)23/h4-9H,1-3H3,(H,18,20)