propan-2-yl 6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-3-pentanoyl-1-prop-2-enyl-4H-pyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-3-pentanoyl-1-prop-2-enyl-4H-pyrimidine-5-carboxylate Openeye Name: isopropyl 1-allyl-6-methyl-4-(3-nitrophenyl)-2-oxo-3-pentanoyl-4H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-(3-nitrophenyl)-2-oxo-3-(1-oxopentyl)-1-prop-2-enyl-4H-pyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-methyl-4-(3-nitrophenyl)-2-oxo-3-pentanoyl-1-prop-2-enyl-4H-pyrimidine-5-carboxylate Traditional Name: 1-allyl-2-keto-6-methyl-4-(3-nitrophenyl)-3-valeryl-4H-pyrimidine-5-carboxylic acid isopropyl ester Formula: C23H29N3O6 MolecularWeight: 443.49286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1C(C(=C(N(C1=O)CC=C)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)N1C(C(=C(N(C1=O)CC=C)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O6/c1-6-8-12-19(27)25-21(17-10-9-11-18(14-17)26(30)31)20(22(28)32-15(3)4)16(5)24(13-7-2)23(25)29/h7,9-11,14-15,21H,2,6,8,12-13H2,1,3-5H3