2-[(4-ethoxy-3-methoxy-phenyl)amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(4-ethoxy-3-methoxy-phenyl)amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-(4-ethoxy-3-methoxy-anilino)-5-nitro-benzonitrile CAS Name: 2-(4-ethoxy-3-methoxyanilino)-5-nitrobenzonitrile IUPAC Name: 2-(4-ethoxy-3-methoxyanilino)-5-nitrobenzonitrile Traditional Name: 2-(4-ethoxy-3-methoxy-anilino)-5-nitro-benzonitrile Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4/c1-3-23-15-7-4-12(9-16(15)22-2)18-14-6-5-13(19(20)21)8-11(14)10-17/h4-9,18H,3H2,1-2H3