methyl 3-[(2-ethyl-6-methyl-phenyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(2-ethyl-6-methyl-phenyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(2-ethyl-6-methyl-phenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[(2-ethyl-6-methylanilino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2-ethyl-6-methyl-phenyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C18H18N2O5/c1-4-12-7-5-6-11(2)16(12)19-17(21)13-8-14(18(22)25-3)10-15(9-13)20(23)24/h5-10H,4H2,1-3H3,(H,19,21)