6-nitro-2-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6-nitro-2-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione Openeye Name: 6-nitro-2-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methyleneamino]benzo[de]isoquinoline-1,3-dione CAS Name: 6-nitro-2-[(E)-[3-nitro-4-(2-pyrimidinylthio)phenyl]methylideneamino]benzo[de]isoquinoline-1,3-dione IUPAC Name: 6-nitro-2-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione Traditional Name: 6-nitro-2-[(E)-[3-nitro-4-(2-pyrimidylthio)benzylidene]amino]benzo[de]isoquinoline-1,3-quinone Formula: C23H12N6O6S MolecularWeight: 500.44298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)N=CC4=CC(=C(C=C4)SC5=NC=CC=N5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)/N=C/C4=CC(=C(C=C4)SC5=NC=CC=N5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H12N6O6S/c30-21-15-4-1-3-14-17(28(32)33)7-6-16(20(14)15)22(31)27(21)26-12-13-5-8-19(18(11-13)29(34)35)36-23-24-9-2-10-25-23/h1-12H/b26-12+