2-[(5-chloranyl-2-oxidanyl-phenyl)methylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(5-chloranyl-2-oxidanyl-phenyl)methylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(5-chloro-2-hydroxy-phenyl)methylamino]-5-nitro-benzonitrile CAS Name: 2-[(5-chloro-2-hydroxyphenyl)methylamino]-5-nitrobenzonitrile IUPAC Name: 2-[(5-chloro-2-hydroxyphenyl)methylamino]-5-nitrobenzonitrile Traditional Name: 2-[(5-chloro-2-hydroxy-benzyl)amino]-5-nitro-benzonitrile Formula: C14H10ClN3O3 MolecularWeight: 303.7005

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NCC2=C(C=CC(=C2)Cl)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NCC2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C14H10ClN3O3/c15-11-1-4-14(19)10(5-11)8-17-13-3-2-12(18(20)21)6-9(13)7-16/h1-6,17,19H,8H2