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

Systemtic Name: methyl 3-[butyl(phenyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[butyl(phenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[(N-butylanilino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[butyl(phenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[butyl(phenyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H20N2O5 MolecularWeight: 356.3725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5/c1-3-4-10-20(16-8-6-5-7-9-16)18(22)14-11-15(19(23)26-2)13-17(12-14)21(24)25/h5-9,11-13H,3-4,10H2,1-2H3