4-chloranyl-3-(2-ethylphenoxy)-7-nitro-isochromen-1-one

Systemtic Name: 4-chloranyl-3-(2-ethylphenoxy)-7-nitro-isochromen-1-one Openeye Name: 4-chloro-3-(2-ethylphenoxy)-7-nitro-isochromen-1-one CAS Name: 4-chloro-3-(2-ethylphenoxy)-7-nitro-2-benzopyran-1-one IUPAC Name: 4-chloro-3-(2-ethylphenoxy)-7-nitroisochromen-1-one Traditional Name: 4-chloro-3-(2-ethylphenoxy)-7-nitro-isocoumarin Formula: C17H12ClNO5 MolecularWeight: 345.73388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1OC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2)Cl

Isomeric SMILES

CCC1=CC=CC=C1OC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2)Cl

InChI

InChI=1S/C17H12ClNO5/c1-2-10-5-3-4-6-14(10)23-17-15(18)12-8-7-11(19(21)22)9-13(12)16(20)24-17/h3-9H,2H2,1H3