N-hexyl-N-methyl-8-nitro-7-oxidanylidene-8H-1,10-phenanthroline-3-carboxamide

Systemtic Name: N-hexyl-N-methyl-8-nitro-7-oxidanylidene-8H-1,10-phenanthroline-3-carboxamide Openeye Name: N-hexyl-N-methyl-8-nitro-7-oxo-8H-1,10-phenanthroline-3-carboxamide CAS Name: N-hexyl-N-methyl-8-nitro-7-oxo-8H-1,10-phenanthroline-3-carboxamide IUPAC Name: N-hexyl-N-methyl-8-nitro-7-oxo-8H-1,10-phenanthroline-3-carboxamide Traditional Name: N-hexyl-7-keto-N-methyl-8-nitro-8H-1,10-phenanthroline-3-carboxamide Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C)C(=O)C1=CN=C2C(=C1)C=CC3=C2N=CC(C3=O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN(C)C(=O)C1=CN=C2C(=C1)C=CC3=C2N=CC(C3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4/c1-3-4-5-6-9-23(2)20(26)14-10-13-7-8-15-18(17(13)21-11-14)22-12-16(19(15)25)24(27)28/h7-8,10-12,16H,3-6,9H2,1-2H3