2-[[3-(hydroxymethyl)phenyl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[3-(hydroxymethyl)phenyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[3-(hydroxymethyl)anilino]-5-nitro-benzonitrile CAS Name: 2-[3-(hydroxymethyl)anilino]-5-nitrobenzonitrile IUPAC Name: 2-[3-(hydroxymethyl)anilino]-5-nitrobenzonitrile Traditional Name: 2-(3-methylolanilino)-5-nitro-benzonitrile Formula: C14H11N3O3 MolecularWeight: 269.25544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)CO

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)CO

InChI

InChI=1S/C14H11N3O3/c15-8-11-7-13(17(19)20)4-5-14(11)16-12-3-1-2-10(6-12)9-18/h1-7,16,18H,9H2