2,4-bis(4-nitrophenyl)-9H-pyrimido[4,5-b]indole

Systemtic Name: 2,4-bis(4-nitrophenyl)-9H-pyrimido[4,5-b]indole Openeye Name: 2,4-bis(4-nitrophenyl)-9H-pyrimido[4,5-b]indole CAS Name: 2,4-bis(4-nitrophenyl)-9H-pyrimido[4,5-b]indole IUPAC Name: 2,4-bis(4-nitrophenyl)-9H-pyrimido[4,5-b]indole Traditional Name: 2,4-bis(4-nitrophenyl)-9H-pyrimid[4,5-b]indole Formula: C22H13N5O4 MolecularWeight: 411.36972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N=C(N=C3N2)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N=C(N=C3N2)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H13N5O4/c28-26(29)15-9-5-13(6-10-15)20-19-17-3-1-2-4-18(17)23-22(19)25-21(24-20)14-7-11-16(12-8-14)27(30)31/h1-12H,(H,23,24,25)