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

Systemtic Name: 4-[(3,4-diethoxyphenyl)amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-(3,4-diethoxyanilino)-3-nitro-benzonitrile CAS Name: 4-(3,4-diethoxyanilino)-3-nitrobenzonitrile IUPAC Name: 4-(3,4-diethoxyanilino)-3-nitrobenzonitrile Traditional Name: 4-(3,4-diethoxyanilino)-3-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)C#N)[N+](=O)[O-])OCC

Isomeric SMILES

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

InChI

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