3-nitro-4-[3-[2-(3-oxidanylprop-1-ynyl)phenyl]prop-2-ynoxy]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[3-[2-(3-oxidanylprop-1-ynyl)phenyl]prop-2-ynoxy]benzenecarbonitrile Openeye Name: 4-[3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-ynoxy]-3-nitro-benzonitrile CAS Name: 4-[3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-ynoxy]-3-nitrobenzonitrile IUPAC Name: 4-[3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-ynoxy]-3-nitrobenzonitrile Traditional Name: 4-[3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-ynoxy]-3-nitro-benzonitrile Formula: C19H12N2O4 MolecularWeight: 332.30958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#CCO)C#CCOC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C#CCO)C#CCOC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H12N2O4/c20-14-15-9-10-19(18(13-15)21(23)24)25-12-4-8-17-6-2-1-5-16(17)7-3-11-22/h1-2,5-6,9-10,13,22H,11-12H2