propan-2-yl 5-[4-(methylamino)-3-nitro-phenyl]-5-oxidanylidene-pentanoate

Systemtic Name: propan-2-yl 5-[4-(methylamino)-3-nitro-phenyl]-5-oxidanylidene-pentanoate Openeye Name: isopropyl 5-[4-(methylamino)-3-nitro-phenyl]-5-oxo-pentanoate CAS Name: 5-[4-(methylamino)-3-nitrophenyl]-5-oxopentanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[4-(methylamino)-3-nitrophenyl]-5-oxopentanoate Traditional Name: 5-keto-5-[4-(methylamino)-3-nitro-phenyl]valeric acid isopropyl ester Formula: C15H20N2O5 MolecularWeight: 308.3297

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O5/c1-10(2)22-15(19)6-4-5-14(18)11-7-8-12(16-3)13(9-11)17(20)21/h7-10,16H,4-6H2,1-3H3