methyl 3-[[3-(2-methylpropanoylamino)phenyl]methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[3-(2-methylpropanoylamino)phenyl]methylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[3-(2-methylpropanoylamino)phenyl]methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[3-(2-methylpropanoylamino)phenyl]methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3-(isobutyrylamino)benzyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H21N3O6/c1-12(2)18(24)22-16-6-4-5-13(7-16)11-21-19(25)14-8-15(20(26)29-3)10-17(9-14)23(27)28/h4-10,12H,11H2,1-3H3,(H,21,25)(H,22,24)