6-[methyl-[4-(4-nitrophenoxy)but-2-ynyl]amino]chromen-2-one

Systemtic Name: 6-[methyl-[4-(4-nitrophenoxy)but-2-ynyl]amino]chromen-2-one Openeye Name: 6-[methyl-[4-(4-nitrophenoxy)but-2-ynyl]amino]chromen-2-one CAS Name: 6-[methyl-[4-(4-nitrophenoxy)but-2-ynyl]amino]-1-benzopyran-2-one IUPAC Name: 6-[methyl-[4-(4-nitrophenoxy)but-2-ynyl]amino]chromen-2-one Traditional Name: 6-[methyl-[4-(4-nitrophenoxy)but-2-ynyl]amino]coumarin Formula: C20H16N2O5 MolecularWeight: 364.35144

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC#CCOC1=CC=C(C=C1)[N+](=O)[O-])C2=CC3=C(C=C2)OC(=O)C=C3

Isomeric SMILES

CN(CC#CCOC1=CC=C(C=C1)[N+](=O)[O-])C2=CC3=C(C=C2)OC(=O)C=C3

InChI

InChI=1S/C20H16N2O5/c1-21(17-7-10-19-15(14-17)4-11-20(23)27-19)12-2-3-13-26-18-8-5-16(6-9-18)22(24)25/h4-11,14H,12-13H2,1H3