4-[[1-(4,5-diethoxy-2-nitro-phenyl)-2-oxidanylidene-propyl]amino]benzenecarbonitrile

Systemtic Name: 4-[[1-(4,5-diethoxy-2-nitro-phenyl)-2-oxidanylidene-propyl]amino]benzenecarbonitrile Openeye Name: 4-[[1-(4,5-diethoxy-2-nitro-phenyl)-2-oxo-propyl]amino]benzonitrile CAS Name: 4-[[1-(4,5-diethoxy-2-nitrophenyl)-2-oxopropyl]amino]benzonitrile IUPAC Name: 4-[[1-(4,5-diethoxy-2-nitrophenyl)-2-oxopropyl]amino]benzonitrile Traditional Name: 4-[[1-(4,5-diethoxy-2-nitro-phenyl)-2-keto-propyl]amino]benzonitrile Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(C(=O)C)NC2=CC=C(C=C2)C#N)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(C(=O)C)NC2=CC=C(C=C2)C#N)[N+](=O)[O-])OCC

InChI

InChI=1S/C20H21N3O5/c1-4-27-18-10-16(17(23(25)26)11-19(18)28-5-2)20(13(3)24)22-15-8-6-14(12-21)7-9-15/h6-11,20,22H,4-5H2,1-3H3