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

Systemtic Name: 6-chloranyl-7-ethyl-4-[(4-nitrophenoxy)methyl]chromen-2-one Openeye Name: 6-chloro-7-ethyl-4-[(4-nitrophenoxy)methyl]chromen-2-one CAS Name: 6-chloro-7-ethyl-4-[(4-nitrophenoxy)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-ethyl-4-[(4-nitrophenoxy)methyl]chromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[(4-nitrophenoxy)methyl]coumarin Formula: C18H14ClNO5 MolecularWeight: 359.76046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H14ClNO5/c1-2-11-7-17-15(9-16(11)19)12(8-18(21)25-17)10-24-14-5-3-13(4-6-14)20(22)23/h3-9H,2,10H2,1H3