8-methyl-11-nitro-7-oxidanidyl-12b-phenyl-1,8,9,12a-tetrahydro-[1,3]benzoxazolo[3,2-c]quinazolin-7-ium

Systemtic Name: 8-methyl-11-nitro-7-oxidanidyl-12b-phenyl-1,8,9,12a-tetrahydro-[1,3]benzoxazolo[3,2-c]quinazolin-7-ium Openeye Name: 8-methyl-11-nitro-7-oxido-12b-phenyl-1,8,9,12a-tetrahydro-[1,3]benzoxazolo[3,2-c]quinazolin-7-ium CAS Name: 8-methyl-11-nitro-7-oxido-12b-phenyl-1,8,9,12a-tetrahydro-[1,3]benzoxazolo[3,2-c]quinazolin-7-ium IUPAC Name: 8-methyl-11-nitro-7-oxido-12b-phenyl-1,8,9,12a-tetrahydro-[1,3]benzoxazolo[3,2-c]quinazolin-7-ium Traditional Name: 8-methyl-11-nitro-7-oxido-12b-phenyl-1,8,9,12a-tetrahydro-[1,3]benzoxazolo[3,2-c]quinazolin-7-ium Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=C(C2=C1[N+]3(C=NC4=CC=CCC4(C3O2)C5=CC=CC=C5)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CC=C(C2=C1[N+]3(C=NC4=CC=CCC4(C3O2)C5=CC=CC=C5)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4/c1-14-10-11-16(23(25)26)19-18(14)24(27)13-22-17-9-5-6-12-21(17,20(24)28-19)15-7-3-2-4-8-15/h2-9,11,13-14,20H,10,12H2,1H3