methyl 3-[2-(4-methylphenoxy)ethylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[2-(4-methylphenoxy)ethylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[2-(4-methylphenoxy)ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-(4-methylphenoxy)ethylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[2-(4-methylphenoxy)ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[2-(4-methylphenoxy)ethylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6/c1-12-3-5-16(6-4-12)26-8-7-19-17(21)13-9-14(18(22)25-2)11-15(10-13)20(23)24/h3-6,9-11H,7-8H2,1-2H3,(H,19,21)