3-butyl-4-chloranyl-7-nitro-isochromen-1-one

Systemtic Name: 3-butyl-4-chloranyl-7-nitro-isochromen-1-one Openeye Name: 3-butyl-4-chloro-7-nitro-isochromen-1-one CAS Name: 3-butyl-4-chloro-7-nitro-2-benzopyran-1-one IUPAC Name: 3-butyl-4-chloro-7-nitroisochromen-1-one Traditional Name: 3-butyl-4-chloro-7-nitro-isocoumarin Formula: C13H12ClNO4 MolecularWeight: 281.69168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O1)Cl

Isomeric SMILES

CCCCC1=C(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O1)Cl

InChI

InChI=1S/C13H12ClNO4/c1-2-3-4-11-12(14)9-6-5-8(15(17)18)7-10(9)13(16)19-11/h5-7H,2-4H2,1H3