ethyl 3-nitro-5-(1-phenylbutylcarbamoyl)benzoate

Systemtic Name: ethyl 3-nitro-5-(1-phenylbutylcarbamoyl)benzoate Openeye Name: ethyl 3-nitro-5-(1-phenylbutylcarbamoyl)benzoate CAS Name: 3-nitro-5-[oxo-(1-phenylbutylamino)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-(1-phenylbutylcarbamoyl)benzoate Traditional Name: 3-nitro-5-(1-phenylbutylcarbamoyl)benzoic acid ethyl ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5/c1-3-8-18(14-9-6-5-7-10-14)21-19(23)15-11-16(20(24)27-4-2)13-17(12-15)22(25)26/h5-7,9-13,18H,3-4,8H2,1-2H3,(H,21,23)