(E)-but-2-enedioic acid; 1-methyl-8-nitro-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine

Systemtic Name: (E)-but-2-enedioic acid; 1-methyl-8-nitro-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine Openeye Name: fumaric acid; 1-methyl-8-nitro-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine CAS Name: (E)-2-butenedioic acid; 1-methyl-8-nitro-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-8-nitro-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine Traditional Name: fumaric acid; 1-methyl-8-nitro-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine Formula: C22H18N4O6 MolecularWeight: 434.40152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2N1C3=C(C=C(C=C3)[N+](=O)[O-])C(=NC2)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC=C2N1C3=C(C=C(C=C3)[N+](=O)[O-])C(=NC2)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H14N4O2.C4H4O4/c1-12-19-10-15-11-20-18(13-5-3-2-4-6-13)16-9-14(22(23)24)7-8-17(16)21(12)15;5-3(6)1-2-4(7)8/h2-10H,11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+