[4-[[4,6-bis(oxidanylidene)-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[[4,6-bis(oxidanylidene)-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(4,6-dioxo-1-phenyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl] ester IUPAC Name: [4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(4,6-diketo-1-phenyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenyl] ester Formula: C24H15N3O6S MolecularWeight: 473.4574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)NC2=S

InChI

InChI=1S/C24H15N3O6S/c28-21-20(22(29)26(24(34)25-21)17-6-2-1-3-7-17)13-15-9-11-19(12-10-15)33-23(30)16-5-4-8-18(14-16)27(31)32/h1-14H,(H,25,28,34)