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

Systemtic Name: 4-methyl-4-(3-nitrophenyl)-6-sulfanylidene-1,3-diazinane-2-carboxylic acid Openeye Name: 4-methyl-4-(3-nitrophenyl)-6-thioxo-hexahydropyrimidine-2-carboxylic acid CAS Name: 4-methyl-4-(3-nitrophenyl)-6-sulfanylidene-1,3-diazinane-2-carboxylic acid IUPAC Name: 4-methyl-4-(3-nitrophenyl)-6-sulfanylidene-1,3-diazinane-2-carboxylic acid Traditional Name: 4-methyl-4-(3-nitrophenyl)-6-thioxo-hexahydropyrimidine-2-carboxylic acid Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O4S/c1-12(6-9(20)13-10(14-12)11(16)17)7-3-2-4-8(5-7)15(18)19/h2-5,10,14H,6H2,1H3,(H,13,20)(H,16,17)