6-(3-imidazol-1-ylpropyl)-3-nitro-indeno[1,2-c]isoquinoline-5,11-dione hydrochloride

Systemtic Name: 6-(3-imidazol-1-ylpropyl)-3-nitro-indeno[1,2-c]isoquinoline-5,11-dione hydrochloride Openeye Name: 6-(3-imidazol-1-ylpropyl)-3-nitro-indeno[1,2-c]isoquinoline-5,11-dione hydrochloride CAS Name: 6-[3-(1-imidazolyl)propyl]-3-nitroindeno[1,2-c]isoquinoline-5,11-dione hydrochloride IUPAC Name: 6-(3-imidazol-1-ylpropyl)-3-nitroindeno[1,2-c]isoquinoline-5,11-dione hydrochloride Traditional Name: 6-(3-imidazol-1-ylpropyl)-3-nitro-inden[1,2-c]isoquinoline-5,11-quinone hydrochloride Formula: C22H17ClN4O4 MolecularWeight: 436.84778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN5C=CN=C5.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN5C=CN=C5.Cl

InChI

InChI=1S/C22H16N4O4.ClH/c27-21-17-5-2-1-4-16(17)20-19(21)15-7-6-14(26(29)30)12-18(15)22(28)25(20)10-3-9-24-11-8-23-13-24;/h1-2,4-8,11-13H,3,9-10H2;1H