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

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-3-nitro-benzonitrile CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-3-nitrobenzonitrile IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-3-nitrobenzonitrile Traditional Name: 4-(homoveratrylamino)-3-nitro-benzonitrile Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])OC

InChI

InChI=1S/C17H17N3O4/c1-23-16-6-4-12(10-17(16)24-2)7-8-19-14-5-3-13(11-18)9-15(14)20(21)22/h3-6,9-10,19H,7-8H2,1-2H3