methyl 3-[6-[2-(3-acetyloxy-4-nitro-phenyl)ethanoylamino]pyridin-3-yl]butanoate

Systemtic Name: methyl 3-[6-[2-(3-acetyloxy-4-nitro-phenyl)ethanoylamino]pyridin-3-yl]butanoate Openeye Name: methyl 3-[6-[[2-(3-acetoxy-4-nitro-phenyl)acetyl]amino]-3-pyridyl]butanoate CAS Name: 3-[6-[[2-(3-acetyloxy-4-nitrophenyl)-1-oxoethyl]amino]-3-pyridinyl]butanoic acid methyl ester IUPAC Name: methyl 3-[6-[[2-(3-acetyloxy-4-nitrophenyl)acetyl]amino]pyridin-3-yl]butanoate Traditional Name: 3-[6-[[2-(3-acetoxy-4-nitro-phenyl)acetyl]amino]-3-pyridyl]butyric acid methyl ester Formula: C20H21N3O7 MolecularWeight: 415.39664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)C1=CN=C(C=C1)NC(=O)CC2=CC(=C(C=C2)[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CC(CC(=O)OC)C1=CN=C(C=C1)NC(=O)CC2=CC(=C(C=C2)[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C20H21N3O7/c1-12(8-20(26)29-3)15-5-7-18(21-11-15)22-19(25)10-14-4-6-16(23(27)28)17(9-14)30-13(2)24/h4-7,9,11-12H,8,10H2,1-3H3,(H,21,22,25)