3-(azepan-1-yl)-1-(3-nitrophenyl)propan-1-one; 5-nitro-1H-indole-2,3-dione

Systemtic Name: 3-(azepan-1-yl)-1-(3-nitrophenyl)propan-1-one; 5-nitro-1H-indole-2,3-dione Openeye Name: 3-(azepan-1-yl)-1-(3-nitrophenyl)propan-1-one; 5-nitroindoline-2,3-dione CAS Name: 3-(1-azepanyl)-1-(3-nitrophenyl)-1-propanone; 5-nitro-1H-indole-2,3-dione IUPAC Name: 3-(azepan-1-yl)-1-(3-nitrophenyl)propan-1-one; 5-nitro-1H-indole-2,3-dione Traditional Name: 3-(azepan-1-yl)-1-(3-nitrophenyl)propan-1-one; 5-nitroisatin Formula: C23H24N4O7 MolecularWeight: 468.45926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCC(=O)C2=CC(=CC=C2)[N+](=O)[O-].C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=O)N2

Isomeric SMILES

C1CCCN(CC1)CCC(=O)C2=CC(=CC=C2)[N+](=O)[O-].C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=O)N2

InChI

InChI=1S/C15H20N2O3.C8H4N2O4/c18-15(8-11-16-9-3-1-2-4-10-16)13-6-5-7-14(12-13)17(19)20;11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12/h5-7,12H,1-4,8-11H2;1-3H,(H,9,11,12)