4-methyl-4-(3-nitrophenyl)-6-oxidanylidene-1,3-diazinane-2-carboxylic acid

Systemtic Name: 4-methyl-4-(3-nitrophenyl)-6-oxidanylidene-1,3-diazinane-2-carboxylic acid Openeye Name: 4-methyl-4-(3-nitrophenyl)-6-oxo-hexahydropyrimidine-2-carboxylic acid CAS Name: 4-methyl-4-(3-nitrophenyl)-6-oxo-1,3-diazinane-2-carboxylic acid IUPAC Name: 4-methyl-4-(3-nitrophenyl)-6-oxo-1,3-diazinane-2-carboxylic acid Traditional Name: 6-keto-4-methyl-4-(3-nitrophenyl)hexahydropyrimidine-2-carboxylic acid Formula: C12H13N3O5 MolecularWeight: 279.24872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O5/c1-12(6-9(16)13-10(14-12)11(17)18)7-3-2-4-8(5-7)15(19)20/h2-5,10,14H,6H2,1H3,(H,13,16)(H,17,18)