7-(diethylamino)-3-[(E)-N-[(2,4-dinitrophenyl)amino]-C-methyl-carbonimidoyl]chromen-2-one

Systemtic Name: 7-(diethylamino)-3-[(E)-N-[(2,4-dinitrophenyl)amino]-C-methyl-carbonimidoyl]chromen-2-one Openeye Name: 7-(diethylamino)-3-[(E)-N-(2,4-dinitroanilino)-C-methyl-carbonimidoyl]chromen-2-one CAS Name: 7-(diethylamino)-3-[(1E)-1-[(2,4-dinitrophenyl)hydrazinylidene]ethyl]-1-benzopyran-2-one IUPAC Name: 7-(diethylamino)-3-[(E)-N-(2,4-dinitroanilino)-C-methylcarbonimidoyl]chromen-2-one Traditional Name: 7-(diethylamino)-3-[(E)-N-(2,4-dinitroanilino)-C-methyl-carbonimidoyl]coumarin Formula: C21H21N5O6 MolecularWeight: 439.42134

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)/C(=N/NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])/C

InChI

InChI=1S/C21H21N5O6/c1-4-24(5-2)15-7-6-14-10-17(21(27)32-20(14)12-15)13(3)22-23-18-9-8-16(25(28)29)11-19(18)26(30)31/h6-12,23H,4-5H2,1-3H3/b22-13+