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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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