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

Systemtic Name: [4-[4-methyl-5-nitro-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidin-6-yl]phenyl] ethanoate Openeye Name: [4-(3-benzyl-4-methyl-5-nitro-2-oxo-1,6-dihydropyrimidin-6-yl)phenyl] acetate CAS Name: acetic acid [4-[4-methyl-5-nitro-2-oxo-3-(phenylmethyl)-1,6-dihydropyrimidin-6-yl]phenyl] ester IUPAC Name: [4-(3-benzyl-4-methyl-5-nitro-2-oxo-1,6-dihydropyrimidin-6-yl)phenyl] acetate Traditional Name: acetic acid [4-(3-benzyl-2-keto-4-methyl-5-nitro-1,6-dihydropyrimidin-6-yl)phenyl] ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5/c1-13-19(23(26)27)18(16-8-10-17(11-9-16)28-14(2)24)21-20(25)22(13)12-15-6-4-3-5-7-15/h3-11,18H,12H2,1-2H3,(H,21,25)