6-chloranyl-2-(2-ethyl-3-nitro-pentyl)-3-oxidanidyl-4-phenyl-quinazolin-3-ium

Systemtic Name: 6-chloranyl-2-(2-ethyl-3-nitro-pentyl)-3-oxidanidyl-4-phenyl-quinazolin-3-ium Openeye Name: 6-chloro-2-(2-ethyl-3-nitro-pentyl)-3-oxido-4-phenyl-quinazolin-3-ium CAS Name: 6-chloro-2-(2-ethyl-3-nitropentyl)-3-oxido-4-phenylquinazolin-3-ium IUPAC Name: 6-chloro-2-(2-ethyl-3-nitropentyl)-3-oxido-4-phenylquinazolin-3-ium Traditional Name: 6-chloro-2-(2-ethyl-3-nitro-pentyl)-3-oxido-4-phenyl-quinazolin-3-ium Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=NC2=C(C=C(C=C2)Cl)C(=[N+]1[O-])C3=CC=CC=C3)C(CC)[N+](=O)[O-]

Isomeric SMILES

CCC(CC1=NC2=C(C=C(C=C2)Cl)C(=[N+]1[O-])C3=CC=CC=C3)C(CC)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN3O3/c1-3-14(19(4-2)25(27)28)12-20-23-18-11-10-16(22)13-17(18)21(24(20)26)15-8-6-5-7-9-15/h5-11,13-14,19H,3-4,12H2,1-2H3