3-(4-chloranyl-7-nitro-1-oxidanylidene-isochromen-3-yl)oxypropanenitrile

Systemtic Name: 3-(4-chloranyl-7-nitro-1-oxidanylidene-isochromen-3-yl)oxypropanenitrile Openeye Name: 3-(4-chloro-7-nitro-1-oxo-isochromen-3-yl)oxypropanenitrile CAS Name: 3-[(4-chloro-7-nitro-1-oxo-2-benzopyran-3-yl)oxy]propanenitrile IUPAC Name: 3-(4-chloro-7-nitro-1-oxoisochromen-3-yl)oxypropanenitrile Traditional Name: 3-(4-chloro-1-keto-7-nitro-isochromen-3-yl)oxypropionitrile Formula: C12H7ClN2O5 MolecularWeight: 294.64738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)OC(=C2Cl)OCCC#N

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)OC(=C2Cl)OCCC#N

InChI

InChI=1S/C12H7ClN2O5/c13-10-8-3-2-7(15(17)18)6-9(8)11(16)20-12(10)19-5-1-4-14/h2-3,6H,1,5H2