ethyl 3-[4-(4-chloranylphenoxy)butylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[4-(4-chloranylphenoxy)butylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[4-(4-chlorophenoxy)butylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-(4-chlorophenoxy)butylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-chlorophenoxy)butylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[4-(4-chlorophenoxy)butylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H21ClN2O6 MolecularWeight: 420.84354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCCCOC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCCCOC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN2O6/c1-2-28-20(25)15-11-14(12-17(13-15)23(26)27)19(24)22-9-3-4-10-29-18-7-5-16(21)6-8-18/h5-8,11-13H,2-4,9-10H2,1H3,(H,22,24)