ethyl 3-[butyl(phenyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[butyl(phenyl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[butyl(phenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[(N-butylanilino)-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[butyl(phenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[butyl(phenyl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCCN(C1=CC=CC=C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C20H22N2O5/c1-3-5-11-21(17-9-7-6-8-10-17)19(23)15-12-16(20(24)27-4-2)14-18(13-15)22(25)26/h6-10,12-14H,3-5,11H2,1-2H3