N-(2-cyano-4-nitro-phenyl)-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-4-morpholino-3-nitro-benzamide CAS Name: N-(2-cyano-4-nitrophenyl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-4-morpholino-3-nitro-benzamide Formula: C18H15N5O6 MolecularWeight: 397.3416

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O6/c19-11-13-9-14(22(25)26)2-3-15(13)20-18(24)12-1-4-16(17(10-12)23(27)28)21-5-7-29-8-6-21/h1-4,9-10H,5-8H2,(H,20,24)