[1-[4-methyl-5-nitro-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidin-6-yl]naphthalen-2-yl] benzoate

Systemtic Name: [1-[4-methyl-5-nitro-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidin-6-yl]naphthalen-2-yl] benzoate Openeye Name: [1-(3-benzyl-4-methyl-5-nitro-2-oxo-1,6-dihydropyrimidin-6-yl)-2-naphthyl] benzoate CAS Name: benzoic acid [1-[4-methyl-5-nitro-2-oxo-3-(phenylmethyl)-1,6-dihydropyrimidin-6-yl]-2-naphthalenyl] ester IUPAC Name: [1-(3-benzyl-4-methyl-5-nitro-2-oxo-1,6-dihydropyrimidin-6-yl)naphthalen-2-yl] benzoate Traditional Name: benzoic acid [1-(3-benzyl-2-keto-4-methyl-5-nitro-1,6-dihydropyrimidin-6-yl)-2-naphthyl] ester Formula: C29H23N3O5 MolecularWeight: 493.51002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=C(C=CC4=CC=CC=C43)OC(=O)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=C(C=CC4=CC=CC=C43)OC(=O)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H23N3O5/c1-19-27(32(35)36)26(30-29(34)31(19)18-20-10-4-2-5-11-20)25-23-15-9-8-12-21(23)16-17-24(25)37-28(33)22-13-6-3-7-14-22/h2-17,26H,18H2,1H3,(H,30,34)