6-chloranyl-2-(2-methyl-3-nitro-butyl)-3-oxidanidyl-4-phenyl-quinazolin-3-ium

Systemtic Name: 6-chloranyl-2-(2-methyl-3-nitro-butyl)-3-oxidanidyl-4-phenyl-quinazolin-3-ium Openeye Name: 6-chloro-2-(2-methyl-3-nitro-butyl)-3-oxido-4-phenyl-quinazolin-3-ium CAS Name: 6-chloro-2-(2-methyl-3-nitrobutyl)-3-oxido-4-phenylquinazolin-3-ium IUPAC Name: 6-chloro-2-(2-methyl-3-nitrobutyl)-3-oxido-4-phenylquinazolin-3-ium Traditional Name: 6-chloro-2-(2-methyl-3-nitro-butyl)-3-oxido-4-phenyl-quinazolin-3-ium Formula: C19H18ClN3O3 MolecularWeight: 371.81752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O3/c1-12(13(2)23(25)26)10-18-21-17-9-8-15(20)11-16(17)19(22(18)24)14-6-4-3-5-7-14/h3-9,11-13H,10H2,1-2H3