7-(diethylamino)-3-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]chromen-2-one

Systemtic Name: 7-(diethylamino)-3-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]chromen-2-one Openeye Name: 7-(diethylamino)-3-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]chromen-2-one CAS Name: 7-(diethylamino)-3-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]-1-benzopyran-2-one IUPAC Name: 7-(diethylamino)-3-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]chromen-2-one Traditional Name: 7-(diethylamino)-3-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]coumarin Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC(=NN3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC(=NN3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O4/c1-3-25(4-2)16-10-7-14-11-17(21(27)30-18(14)12-16)20-22-19(23-24-20)13-5-8-15(9-6-13)26(28)29/h5-12H,3-4H2,1-2H3,(H,22,23,24)