4-[5-nitro-2-oxidanylidene-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]butanoic acid

Systemtic Name: 4-[5-nitro-2-oxidanylidene-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]butanoic acid Openeye Name: 4-[5-nitro-2-oxo-1-(4-pyridylmethyl)acenaphthylen-1-yl]butanoic acid CAS Name: 4-[5-nitro-2-oxo-1-(pyridin-4-ylmethyl)-1-acenaphthylenyl]butanoic acid IUPAC Name: 4-[5-nitro-2-oxo-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]butanoic acid Traditional Name: 4-[2-keto-5-nitro-1-(4-pyridylmethyl)acenaphthen-1-yl]butyric acid Formula: C22H18N2O5 MolecularWeight: 390.38872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC3=C2C(=C1)C(C3=O)(CCCC(=O)O)CC4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CC3=C2C(=C1)C(C3=O)(CCCC(=O)O)CC4=CC=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O5/c25-19(26)5-2-10-22(13-14-8-11-23-12-9-14)17-4-1-3-15-18(24(28)29)7-6-16(20(15)17)21(22)27/h1,3-4,6-9,11-12H,2,5,10,13H2,(H,25,26)