3-(2-methyl-4-nitro-phenyl)chromen-2-one

Systemtic Name: 3-(2-methyl-4-nitro-phenyl)chromen-2-one Openeye Name: 3-(2-methyl-4-nitro-phenyl)chromen-2-one CAS Name: 3-(2-methyl-4-nitrophenyl)-1-benzopyran-2-one IUPAC Name: 3-(2-methyl-4-nitrophenyl)chromen-2-one Traditional Name: 3-(2-methyl-4-nitro-phenyl)coumarin Formula: C16H11NO4 MolecularWeight: 281.26284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C16H11NO4/c1-10-8-12(17(19)20)6-7-13(10)14-9-11-4-2-3-5-15(11)21-16(14)18/h2-9H,1H3