7-[6-[(2,4-dinitrophenyl)amino]hexanoyl]chromen-2-one

Systemtic Name: 7-[6-[(2,4-dinitrophenyl)amino]hexanoyl]chromen-2-one Openeye Name: 7-[6-(2,4-dinitroanilino)hexanoyl]chromen-2-one CAS Name: 7-[6-(2,4-dinitroanilino)-1-oxohexyl]-1-benzopyran-2-one IUPAC Name: 7-[6-(2,4-dinitroanilino)hexanoyl]chromen-2-one Traditional Name: 7-[6-(2,4-dinitroanilino)hexanoyl]coumarin Formula: C21H19N3O7 MolecularWeight: 425.39146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC(=O)O2)C(=O)CCCCCNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC2=C1C=CC(=O)O2)C(=O)CCCCCNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O7/c25-19(15-6-5-14-7-10-21(26)31-20(14)12-15)4-2-1-3-11-22-17-9-8-16(23(27)28)13-18(17)24(29)30/h5-10,12-13,22H,1-4,11H2