4-[(E)-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-2-nitro-phenolate

Systemtic Name: 4-[(E)-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-2-nitro-phenolate Openeye Name: 4-[(E)-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-2-nitro-phenolate CAS Name: 4-[(E)-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-nitrophenolate IUPAC Name: 4-[(E)-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-nitrophenolate Traditional Name: 4-[(E)-[1-[4-(4-chlorobenzyl)oxyphenyl]-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]-2-nitro-phenolate Formula: C24H15ClN3O7- MolecularWeight: 492.8448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=CC=C(C=C2)N3C(=O)C(=CC4=CC(=C(C=C4)[O-])[N+](=O)[O-])C(=O)NC3=O)Cl

Isomeric SMILES

C1=CC(=CC=C1COC2=CC=C(C=C2)N3C(=O)/C(=C/C4=CC(=C(C=C4)[O-])[N+](=O)[O-])/C(=O)NC3=O)Cl

InChI

InChI=1S/C24H16ClN3O7/c25-16-4-1-14(2-5-16)13-35-18-8-6-17(7-9-18)27-23(31)19(22(30)26-24(27)32)11-15-3-10-21(29)20(12-15)28(33)34/h1-12,29H,13H2,(H,26,30,32)/p-1/b19-11+