2-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]-5-nitro-pyridine-3-carbonitrile

Systemtic Name: 2-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]-5-nitro-pyridine-3-carbonitrile Openeye Name: 2-[(4-benzyloxy-3-methoxy-phenyl)methylamino]-5-nitro-pyridine-3-carbonitrile CAS Name: 2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-5-nitro-3-pyridinecarbonitrile IUPAC Name: 2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-5-nitropyridine-3-carbonitrile Traditional Name: 2-[(4-benzoxy-3-methoxy-benzyl)amino]-5-nitro-nicotinonitrile Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=NC=C(C=C2C#N)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=NC=C(C=C2C#N)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C21H18N4O4/c1-28-20-9-16(7-8-19(20)29-14-15-5-3-2-4-6-15)12-23-21-17(11-22)10-18(13-24-21)25(26)27/h2-10,13H,12,14H2,1H3,(H,23,24)