3-butyl-7-chloranyl-2-(3,5-dinitrophenyl)chromeno[2,3-d]pyrimidine-4,5-dione

Systemtic Name: 3-butyl-7-chloranyl-2-(3,5-dinitrophenyl)chromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 3-butyl-7-chloro-2-(3,5-dinitrophenyl)chromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 3-butyl-7-chloro-2-(3,5-dinitrophenyl)[1]benzopyrano[2,3-d]pyrimidine-4,5-dione IUPAC Name: 3-butyl-7-chloro-2-(3,5-dinitrophenyl)chromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 3-butyl-7-chloro-2-(3,5-dinitrophenyl)chromeno[2,3-d]pyrimidine-4,5-quinone Formula: C21H15ClN4O7 MolecularWeight: 470.8194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C(C1=O)C(=O)C3=C(O2)C=CC(=C3)Cl)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=NC2=C(C1=O)C(=O)C3=C(O2)C=CC(=C3)Cl)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H15ClN4O7/c1-2-3-6-24-19(11-7-13(25(29)30)10-14(8-11)26(31)32)23-20-17(21(24)28)18(27)15-9-12(22)4-5-16(15)33-20/h4-5,7-10H,2-3,6H2,1H3