methyl 2-acetamido-3-[4-[ethanoyl(methyl)amino]-3-nitro-phenyl]-2-methyl-propanoate

Systemtic Name: methyl 2-acetamido-3-[4-[ethanoyl(methyl)amino]-3-nitro-phenyl]-2-methyl-propanoate Openeye Name: methyl 2-acetamido-3-[4-[acetyl(methyl)amino]-3-nitro-phenyl]-2-methyl-propanoate CAS Name: 2-acetamido-3-[4-[acetyl(methyl)amino]-3-nitrophenyl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-[4-[acetyl(methyl)amino]-3-nitrophenyl]-2-methylpropanoate Traditional Name: 2-acetamido-3-[4-[acetyl(methyl)amino]-3-nitro-phenyl]-2-methyl-propionic acid methyl ester Formula: C16H21N3O6 MolecularWeight: 351.35444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C)(CC1=CC(=C(C=C1)N(C)C(=O)C)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(=O)NC(C)(CC1=CC(=C(C=C1)N(C)C(=O)C)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H21N3O6/c1-10(20)17-16(3,15(22)25-5)9-12-6-7-13(18(4)11(2)21)14(8-12)19(23)24/h6-8H,9H2,1-5H3,(H,17,20)