N,6-dimethyl-5,8-dinitro-7-oxidanylidene-N-(phenylmethyl)-8H-1,10-phenanthroline-3-carboxamide

Systemtic Name: N,6-dimethyl-5,8-dinitro-7-oxidanylidene-N-(phenylmethyl)-8H-1,10-phenanthroline-3-carboxamide Openeye Name: N-benzyl-N,6-dimethyl-5,8-dinitro-7-oxo-8H-1,10-phenanthroline-3-carboxamide CAS Name: N,6-dimethyl-5,8-dinitro-7-oxo-N-(phenylmethyl)-8H-1,10-phenanthroline-3-carboxamide IUPAC Name: N-benzyl-N,6-dimethyl-5,8-dinitro-7-oxo-8H-1,10-phenanthroline-3-carboxamide Traditional Name: N-benzyl-7-keto-N,6-dimethyl-5,8-dinitro-8H-1,10-phenanthroline-3-carboxamide Formula: C22H17N5O6 MolecularWeight: 447.40028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=CN=C2C3=C1C(=O)C(C=N3)[N+](=O)[O-])C(=O)N(C)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=CC(=CN=C2C3=C1C(=O)C(C=N3)[N+](=O)[O-])C(=O)N(C)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O6/c1-12-17-19(24-10-16(21(17)28)26(30)31)18-15(20(12)27(32)33)8-14(9-23-18)22(29)25(2)11-13-6-4-3-5-7-13/h3-10,16H,11H2,1-2H3