3-[2-(2-nitroimidazol-1-yl)ethylamino]-8-oxidanylidene-cyclopenta[a]acenaphthylene-9-carbonitrile

Systemtic Name: 3-[2-(2-nitroimidazol-1-yl)ethylamino]-8-oxidanylidene-cyclopenta[a]acenaphthylene-9-carbonitrile Openeye Name: 3-[2-(2-nitroimidazol-1-yl)ethylamino]-8-oxo-cyclopenta[a]acenaphthylene-9-carbonitrile CAS Name: 3-[2-(2-nitro-1-imidazolyl)ethylamino]-8-oxo-9-cyclopenta[a]acenaphthylenecarbonitrile IUPAC Name: 3-[2-(2-nitroimidazol-1-yl)ethylamino]-8-oxocyclopenta[a]acenaphthylene-9-carbonitrile Traditional Name: 8-keto-3-[2-(2-nitroimidazol-1-yl)ethylamino]cyclopent[a]acenaphthylene-9-carbonitrile Formula: C21H13N5O3 MolecularWeight: 383.35962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC3=C2C(=C1)C4=CC(=O)C(=C34)C#N)NCCN5C=CN=C5[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CC3=C2C(=C1)C4=CC(=O)C(=C34)C#N)NCCN5C=CN=C5[N+](=O)[O-]

InChI

InChI=1S/C21H13N5O3/c22-11-16-18(27)10-15-12-2-1-3-13-17(5-4-14(19(12)13)20(15)16)23-6-8-25-9-7-24-21(25)26(28)29/h1-5,7,9-10,23H,6,8H2