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

Systemtic Name: methyl 3-[butyl(ethyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[butyl(ethyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[butyl(ethyl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[butyl(ethyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[butyl(ethyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C15H20N2O5 MolecularWeight: 308.3297

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O5/c1-4-6-7-16(5-2)14(18)11-8-12(15(19)22-3)10-13(9-11)17(20)21/h8-10H,4-7H2,1-3H3