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

Systemtic Name: ethyl 3-[methyl-[2-(4-methylphenoxy)ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[methyl-[2-(4-methylphenoxy)ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[methyl-[2-(4-methylphenoxy)ethyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[methyl-[2-(4-methylphenoxy)ethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[methyl-[2-(4-methylphenoxy)ethyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CCOC2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CCOC2=CC=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6/c1-4-27-20(24)16-11-15(12-17(13-16)22(25)26)19(23)21(3)9-10-28-18-7-5-14(2)6-8-18/h5-8,11-13H,4,9-10H2,1-3H3