1,3-bis[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]urea

Systemtic Name: 1,3-bis[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]urea Openeye Name: 1,3-bis(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)urea CAS Name: 1,3-bis(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)urea IUPAC Name: 1,3-bis(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)urea Traditional Name: 1,3-bis(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)urea Formula: C25H12N6O9 MolecularWeight: 540.39758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)NC(=O)NN4C(=O)C5=CC=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)NC(=O)NN4C(=O)C5=CC=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H12N6O9/c32-21-15-5-1-3-11-7-13(30(37)38)9-17(19(11)15)23(34)28(21)26-25(36)27-29-22(33)16-6-2-4-12-8-14(31(39)40)10-18(20(12)16)24(29)35/h1-10H,(H2,26,27,36)