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

Systemtic Name: methyl 3-[methyl-[2-(4-methylphenoxy)ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[methyl-[2-(4-methylphenoxy)ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[methyl-[2-(4-methylphenoxy)ethyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[methyl-[2-(4-methylphenoxy)ethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[methyl-[2-(4-methylphenoxy)ethyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O6/c1-13-4-6-17(7-5-13)27-9-8-20(2)18(22)14-10-15(19(23)26-3)12-16(11-14)21(24)25/h4-7,10-12H,8-9H2,1-3H3