8-nitro-3-propan-2-yl-2,5-dihydro-2,4-benzodiazepin-1-one

Systemtic Name: 8-nitro-3-propan-2-yl-2,5-dihydro-2,4-benzodiazepin-1-one Openeye Name: 3-isopropyl-8-nitro-2,5-dihydro-2,4-benzodiazepin-1-one CAS Name: 8-nitro-3-propan-2-yl-2,5-dihydro-2,4-benzodiazepin-1-one IUPAC Name: 8-nitro-3-propan-2-yl-2,5-dihydro-2,4-benzodiazepin-1-one Traditional Name: 3-isopropyl-8-nitro-2,5-dihydro-2,4-benzodiazepin-1-one Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NCC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1

Isomeric SMILES

CC(C)C1=NCC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1

InChI

InChI=1S/C12H13N3O3/c1-7(2)11-13-6-8-3-4-9(15(17)18)5-10(8)12(16)14-11/h3-5,7H,6H2,1-2H3,(H,13,14,16)