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

Systemtic Name: 1,2-dimethyl-8-nitro-6-thiophen-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol; ethanoic acid Openeye Name: acetic acid; 1,2-dimethyl-8-nitro-6-(2-thienyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol CAS Name: acetic acid; 1,2-dimethyl-8-nitro-6-thiophen-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol IUPAC Name: acetic acid; 1,2-dimethyl-8-nitro-6-thiophen-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol Traditional Name: acetic acid; 1,2-dimethyl-8-nitro-6-(2-thienyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol Formula: C19H18N4O5S MolecularWeight: 414.43502

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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=CS4)C.CC(=O)O

Isomeric SMILES

CC1=C(N2C3=C(C=C(C=C3)[N+](=O)[O-])C(=NC(C2=N1)O)C4=CC=CS4)C.CC(=O)O

InChI

InChI=1S/C17H14N4O3S.C2H4O2/c1-9-10(2)20-13-6-5-11(21(23)24)8-12(13)15(14-4-3-7-25-14)19-17(22)16(20)18-9;1-2(3)4/h3-8,17,22H,1-2H3;1H3,(H,3,4)