3-(2,4-dinitrophenyl)-6-iodanyl-2-methyl-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-(2,4-dinitrophenyl)-6-iodanyl-2-methyl-4aH-quinazolin-3-ium-4-one Openeye Name: 3-(2,4-dinitrophenyl)-6-iodo-2-methyl-4aH-quinazolin-3-ium-4-one CAS Name: 3-(2,4-dinitrophenyl)-6-iodo-2-methyl-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-(2,4-dinitrophenyl)-6-iodo-2-methyl-4aH-quinazolin-3-ium-4-one Traditional Name: 3-(2,4-dinitrophenyl)-6-iodo-2-methyl-4aH-quinazolin-3-ium-4-one Formula: C15H10IN4O5+ MolecularWeight: 453.16817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=O)C2C=C(C=CC2=N1)I)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=[N+](C(=O)C2C=C(C=CC2=N1)I)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H10IN4O5/c1-8-17-12-4-2-9(16)6-11(12)15(21)18(8)13-5-3-10(19(22)23)7-14(13)20(24)25/h2-7,11H,1H3/q+1