7-bromanyl-4-[(3-methyl-4-nitro-phenoxy)methyl]chromen-2-one

Systemtic Name: 7-bromanyl-4-[(3-methyl-4-nitro-phenoxy)methyl]chromen-2-one Openeye Name: 7-bromo-4-[(3-methyl-4-nitro-phenoxy)methyl]chromen-2-one CAS Name: 7-bromo-4-[(3-methyl-4-nitrophenoxy)methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[(3-methyl-4-nitrophenoxy)methyl]chromen-2-one Traditional Name: 7-bromo-4-[(3-methyl-4-nitro-phenoxy)methyl]coumarin Formula: C17H12BrNO5 MolecularWeight: 390.18488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H12BrNO5/c1-10-6-13(3-5-15(10)19(21)22)23-9-11-7-17(20)24-16-8-12(18)2-4-14(11)16/h2-8H,9H2,1H3