butan-1-amine; cobalt(3+); hydron; (2E)-2-[(5-nitro-2-oxidanidyl-phenyl)hydrazinylidene]-3-oxidanylidene-N-phenyl-butanimidate

Systemtic Name: butan-1-amine; cobalt(3+); hydron; (2E)-2-[(5-nitro-2-oxidanidyl-phenyl)hydrazinylidene]-3-oxidanylidene-N-phenyl-butanimidate Openeye Name: cobaltic; butan-1-amine; hydron; (2E)-2-[(5-nitro-2-oxido-phenyl)hydrazono]-3-oxo-N-phenyl-butanimidate CAS Name: 1-butanamine; cobalt(3+); hydron; (2E)-2-[(5-nitro-2-oxidophenyl)hydrazinylidene]-3-oxo-N-phenylbutanimidate IUPAC Name: butan-1-amine; cobalt(3+); hydron; (2E)-2-[(5-nitro-2-oxidophenyl)hydrazinylidene]-3-oxo-N-phenylbutanimidate Traditional Name: cobaltic; butylamine; hydron; (2E)-3-keto-2-[(5-nitro-2-oxido-phenyl)hydrazono]-N-phenyl-butyrimidate Formula: C36H36CoN9O10 MolecularWeight: 813.65854

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CCCCN.CC(=O)C(=NNC1=C(C=CC(=C1)[N+](=O)[O-])[O-])C(=NC2=CC=CC=C2)[O-].CC(=O)C(=NNC1=C(C=CC(=C1)[N+](=O)[O-])[O-])C(=NC2=CC=CC=C2)[O-].[Co+3]

Isomeric SMILES

[H+].CCCCN.CC(=O)/C(=N/NC1=C(C=CC(=C1)[N+](=O)[O-])[O-])/C(=NC2=CC=CC=C2)[O-].CC(=O)/C(=N/NC1=C(C=CC(=C1)[N+](=O)[O-])[O-])/C(=NC2=CC=CC=C2)[O-].[Co+3]

InChI

InChI=1S/2C16H14N4O5.C4H11N.Co/c2*1-10(21)15(16(23)17-11-5-3-2-4-6-11)19-18-13-9-12(20(24)25)7-8-14(13)22;1-2-3-4-5;/h2*2-9,18,22H,1H3,(H,17,23);2-5H2,1H3;/q;;;+3/p-3/b2*19-15-;;