2-[(3,4-diethoxyphenyl)amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(3,4-diethoxyphenyl)amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-(3,4-diethoxyanilino)-5-nitro-benzonitrile CAS Name: 2-(3,4-diethoxyanilino)-5-nitrobenzonitrile IUPAC Name: 2-(3,4-diethoxyanilino)-5-nitrobenzonitrile Traditional Name: 2-(3,4-diethoxyanilino)-5-nitro-benzonitrile Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4/c1-3-23-16-8-5-13(10-17(16)24-4-2)19-15-7-6-14(20(21)22)9-12(15)11-18/h5-10,19H,3-4H2,1-2H3