6-chloranyl-7-methyl-4-[(4-nitrophenoxy)methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[(4-nitrophenoxy)methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[(4-nitrophenoxy)methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[(4-nitrophenoxy)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[(4-nitrophenoxy)methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[(4-nitrophenoxy)methyl]coumarin Formula: C17H12ClNO5 MolecularWeight: 345.73388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H12ClNO5/c1-10-6-16-14(8-15(10)18)11(7-17(20)24-16)9-23-13-4-2-12(3-5-13)19(21)22/h2-8H,9H2,1H3