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

Systemtic Name: 4-[2-(3,4-diethoxyphenyl)ethylamino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[2-(3,4-diethoxyphenyl)ethylamino]-3-nitro-benzonitrile CAS Name: 4-[2-(3,4-diethoxyphenyl)ethylamino]-3-nitrobenzonitrile IUPAC Name: 4-[2-(3,4-diethoxyphenyl)ethylamino]-3-nitrobenzonitrile Traditional Name: 4-[2-(3,4-diethoxyphenyl)ethylamino]-3-nitro-benzonitrile Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])OCC

InChI

InChI=1S/C19H21N3O4/c1-3-25-18-8-6-14(12-19(18)26-4-2)9-10-21-16-7-5-15(13-20)11-17(16)22(23)24/h5-8,11-12,21H,3-4,9-10H2,1-2H3