1,2-dimethyl-8-nitro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol; ethanoic acid

Systemtic Name: 1,2-dimethyl-8-nitro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol; ethanoic acid Openeye Name: acetic acid; 1,2-dimethyl-8-nitro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol CAS Name: acetic acid; 1,2-dimethyl-8-nitro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol IUPAC Name: acetic acid; 1,2-dimethyl-8-nitro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol Traditional Name: acetic acid; 1,2-dimethyl-8-nitro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(C=C(C=C3)[N+](=O)[O-])C(=NC(C2=N1)O)C4=CC=CC=C4)C.CC(=O)O

Isomeric SMILES

CC1=C(N2C3=C(C=C(C=C3)[N+](=O)[O-])C(=NC(C2=N1)O)C4=CC=CC=C4)C.CC(=O)O

InChI

InChI=1S/C19H16N4O3.C2H4O2/c1-11-12(2)22-16-9-8-14(23(25)26)10-15(16)17(13-6-4-3-5-7-13)21-19(24)18(22)20-11;1-2(3)4/h3-10,19,24H,1-2H3;1H3,(H,3,4)