2,7-dinitro-9-oxidanylidene-N-(1-phenylethyl)fluorene-4-carboxamide hydrate

Systemtic Name: 2,7-dinitro-9-oxidanylidene-N-(1-phenylethyl)fluorene-4-carboxamide hydrate Openeye Name: 2,7-dinitro-9-oxo-N-(1-phenylethyl)fluorene-4-carboxamide hydrate CAS Name: 2,7-dinitro-9-oxo-N-(1-phenylethyl)-4-fluorenecarboxamide hydrate IUPAC Name: 2,7-dinitro-9-oxo-N-(1-phenylethyl)fluorene-4-carboxamide hydrate Traditional Name: 9-keto-2,7-dinitro-N-(1-phenylethyl)fluorene-4-carboxamide hydrate Formula: C22H17N3O7 MolecularWeight: 435.38628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=C3C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)C3=CC(=C2)[N+](=O)[O-].O

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=C3C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)C3=CC(=C2)[N+](=O)[O-].O

InChI

InChI=1S/C22H15N3O6.H2O/c1-12(13-5-3-2-4-6-13)23-22(27)19-11-15(25(30)31)10-18-20(19)16-8-7-14(24(28)29)9-17(16)21(18)26;/h2-12H,1H3,(H,23,27);1H2