2-[[3,4-bis(oxidanyl)phenyl]methylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[3,4-bis(oxidanyl)phenyl]methylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(3,4-dihydroxyphenyl)methylamino]-5-nitro-benzonitrile CAS Name: 2-[(3,4-dihydroxyphenyl)methylamino]-5-nitrobenzonitrile IUPAC Name: 2-[(3,4-dihydroxyphenyl)methylamino]-5-nitrobenzonitrile Traditional Name: 5-nitro-2-(protocatechuylamino)benzonitrile Formula: C14H11N3O4 MolecularWeight: 285.25484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)O)O

Isomeric SMILES

C1=CC(=C(C=C1CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)O)O

InChI

InChI=1S/C14H11N3O4/c15-7-10-6-11(17(20)21)2-3-12(10)16-8-9-1-4-13(18)14(19)5-9/h1-6,16,18-19H,8H2