1-(ethoxymethyl)-8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Systemtic Name: 1-(ethoxymethyl)-8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 1-(ethoxymethyl)-8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 1-(ethoxymethyl)-8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 1-(ethoxymethyl)-8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 1-(ethoxymethyl)-8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C19H17N5O3 MolecularWeight: 363.36998

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=NN=C2N1C3=C(C=C(C=C3)[N+](=O)[O-])C(=NC2)C4=CC=CC=C4

Isomeric SMILES

CCOCC1=NN=C2N1C3=C(C=C(C=C3)[N+](=O)[O-])C(=NC2)C4=CC=CC=C4

InChI

InChI=1S/C19H17N5O3/c1-2-27-12-18-22-21-17-11-20-19(13-6-4-3-5-7-13)15-10-14(24(25)26)8-9-16(15)23(17)18/h3-10H,2,11-12H2,1H3