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

Systemtic Name: [4-[4-methyl-5-nitro-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidin-6-yl]phenyl] benzoate Openeye Name: [4-(3-benzyl-4-methyl-5-nitro-2-oxo-1,6-dihydropyrimidin-6-yl)phenyl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [4-(3-benzyl-2-keto-4-methyl-5-nitro-1,6-dihydropyrimidin-6-yl)phenyl] ester Formula: C25H21N3O5 MolecularWeight: 443.45134

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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)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O5/c1-17-23(28(31)32)22(26-25(30)27(17)16-18-8-4-2-5-9-18)19-12-14-21(15-13-19)33-24(29)20-10-6-3-7-11-20/h2-15,22H,16H2,1H3,(H,26,30)