6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-3-(3-phenylpropyl)-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-3-(3-phenylpropyl)-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 6-methyl-4-(3-nitrophenyl)-2-oxo-3-(3-phenylpropyl)-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 6-methyl-4-(3-nitrophenyl)-2-oxo-3-(3-phenylpropyl)-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-4-(3-nitrophenyl)-2-oxo-3-(3-phenylpropyl)-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 2-keto-6-methyl-4-(3-nitrophenyl)-3-(3-phenylpropyl)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)CCCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=O)N1)CCCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H21N3O5/c1-14-18(20(25)26)19(16-10-5-11-17(13-16)24(28)29)23(21(27)22-14)12-6-9-15-7-3-2-4-8-15/h2-5,7-8,10-11,13,19H,6,9,12H2,1H3,(H,22,27)(H,25,26)