4-[2-azanylethyl-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)amino]benzenecarbonitrile

Systemtic Name: 4-[2-azanylethyl-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)amino]benzenecarbonitrile Openeye Name: 4-[N-(2-aminoethyl)-4-benzyloxy-5-methoxy-2-nitro-anilino]benzonitrile CAS Name: 4-[N-(2-aminoethyl)-5-methoxy-2-nitro-4-phenylmethoxyanilino]benzonitrile IUPAC Name: 4-[N-(2-aminoethyl)-5-methoxy-2-nitro-4-phenylmethoxyanilino]benzonitrile Traditional Name: 4-[N-(2-aminoethyl)-4-benzoxy-5-methoxy-2-nitro-anilino]benzonitrile Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)N(CCN)C2=CC=C(C=C2)C#N)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C(=C1)N(CCN)C2=CC=C(C=C2)C#N)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C23H22N4O4/c1-30-22-13-20(26(12-11-24)19-9-7-17(15-25)8-10-19)21(27(28)29)14-23(22)31-16-18-5-3-2-4-6-18/h2-10,13-14H,11-12,16,24H2,1H3