4-[[[2-(2-hydroxyethylamino)-5-nitro-phenyl]amino]methyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[[[2-(2-hydroxyethylamino)-5-nitro-phenyl]amino]methyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[2-(2-hydroxyethylamino)-5-nitro-anilino]methyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[2-(2-hydroxyethylamino)-5-nitroanilino]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[2-(2-hydroxyethylamino)-5-nitroanilino]methyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[2-(2-hydroxyethylamino)-5-nitro-anilino]methyl]-6-isopropyl-7-methyl-coumarin Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CNC3=C(C=CC(=C3)[N+](=O)[O-])NCCO)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CNC3=C(C=CC(=C3)[N+](=O)[O-])NCCO)C(C)C

InChI

InChI=1S/C22H25N3O5/c1-13(2)17-11-18-15(9-22(27)30-21(18)8-14(17)3)12-24-20-10-16(25(28)29)4-5-19(20)23-6-7-26/h4-5,8-11,13,23-24,26H,6-7,12H2,1-3H3