2-[(1-methyl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(1-methyl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(1-methyl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[(1-methyl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(1-methyl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(1-methyl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]isoindoline-1,3-quinone Formula: C25H20N4O4 MolecularWeight: 440.4507

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CN1C(CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H20N4O4/c1-27-18(15-28-24(30)19-9-5-6-10-20(19)25(28)31)14-26-23(16-7-3-2-4-8-16)21-13-17(29(32)33)11-12-22(21)27/h2-13,18H,14-15H2,1H3