6-chloranyl-4-methyl-3-[(3-nitrophenyl)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-methyl-3-[(3-nitrophenyl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-7-hydroxy-4-methyl-3-[(3-nitrophenyl)methyl]chromen-2-one CAS Name: 6-chloro-7-hydroxy-4-methyl-3-[(3-nitrophenyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-4-methyl-3-[(3-nitrophenyl)methyl]chromen-2-one Traditional Name: 6-chloro-7-hydroxy-4-methyl-3-(3-nitrobenzyl)coumarin Formula: C17H12ClNO5 MolecularWeight: 345.73388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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