N,N-di(butan-2-yl)-8-nitro-7-oxidanylidene-8H-1,10-phenanthroline-3-carboxamide

Systemtic Name: N,N-di(butan-2-yl)-8-nitro-7-oxidanylidene-8H-1,10-phenanthroline-3-carboxamide Openeye Name: 8-nitro-7-oxo-N,N-disec-butyl-8H-1,10-phenanthroline-3-carboxamide CAS Name: N,N-di(butan-2-yl)-8-nitro-7-oxo-8H-1,10-phenanthroline-3-carboxamide IUPAC Name: N,N-di(butan-2-yl)-8-nitro-7-oxo-8H-1,10-phenanthroline-3-carboxamide Traditional Name: 7-keto-8-nitro-N,N-disec-butyl-8H-1,10-phenanthroline-3-carboxamide Formula: C21H24N4O4 MolecularWeight: 396.43966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-5-12(3)24(13(4)6-2)21(27)15-9-14-7-8-16-19(18(14)22-10-15)23-11-17(20(16)26)25(28)29/h7-13,17H,5-6H2,1-4H3