methyl (2R,6S)-4-methyl-2,6-bis(2-nitrophenyl)-1,2,5,6-tetrahydropyrimidin-1-ium-5-carboxylate

Systemtic Name: methyl (2R,6S)-4-methyl-2,6-bis(2-nitrophenyl)-1,2,5,6-tetrahydropyrimidin-1-ium-5-carboxylate Openeye Name: methyl (2R,6S)-4-methyl-2,6-bis(2-nitrophenyl)-1,2,5,6-tetrahydropyrimidin-1-ium-5-carboxylate CAS Name: (2R,6S)-4-methyl-2,6-bis(2-nitrophenyl)-1,2,5,6-tetrahydropyrimidin-1-ium-5-carboxylic acid methyl ester IUPAC Name: methyl (2R,6S)-4-methyl-2,6-bis(2-nitrophenyl)-1,2,5,6-tetrahydropyrimidin-1-ium-5-carboxylate Traditional Name: (2R,6S)-4-methyl-2,6-bis(2-nitrophenyl)-1,2,5,6-tetrahydropyrimidin-1-ium-5-carboxylic acid methyl ester Formula: C19H19N4O6+ MolecularWeight: 399.37736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC([NH2+]C(C1C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=N[C@@H]([NH2+][C@@H](C1C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O6/c1-11-16(19(24)29-2)17(12-7-3-5-9-14(12)22(25)26)21-18(20-11)13-8-4-6-10-15(13)23(27)28/h3-10,16-18,21H,1-2H3/p+1/t16?,17-,18+/m1/s1