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

Systemtic Name: 4-methyl-3-[(3-nitrophenyl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-methyl-3-[(3-nitrophenyl)methyl]chromen-2-one CAS Name: 7-hydroxy-4-methyl-3-[(3-nitrophenyl)methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-methyl-3-[(3-nitrophenyl)methyl]chromen-2-one Traditional Name: 7-hydroxy-4-methyl-3-(3-nitrobenzyl)coumarin Formula: C17H13NO5 MolecularWeight: 311.28882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13NO5/c1-10-14-6-5-13(19)9-16(14)23-17(20)15(10)8-11-3-2-4-12(7-11)18(21)22/h2-7,9,19H,8H2,1H3