1-nitro-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione

Systemtic Name: 1-nitro-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione Openeye Name: 1-nitro-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione CAS Name: 1-nitro-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione IUPAC Name: 1-nitro-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione Traditional Name: 1-nitro-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-quinone Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C(=O)N2C1

Isomeric SMILES

C1CC2C(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C(=O)N2C1

InChI

InChI=1S/C12H11N3O4/c16-11-9-5-2-6-14(9)12(17)10-7(13-11)3-1-4-8(10)15(18)19/h1,3-4,9H,2,5-6H2,(H,13,16)