4-[[[2-(2-hydroxyethylamino)-5-nitro-phenyl]amino]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[[2-(2-hydroxyethylamino)-5-nitro-phenyl]amino]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[2-(2-hydroxyethylamino)-5-nitro-anilino]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[2-(2-hydroxyethylamino)-5-nitroanilino]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[2-(2-hydroxyethylamino)-5-nitroanilino]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[2-(2-hydroxyethylamino)-5-nitro-anilino]methyl]-7,8-dimethyl-coumarin Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CNC3=C(C=CC(=C3)[N+](=O)[O-])NCCO)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CNC3=C(C=CC(=C3)[N+](=O)[O-])NCCO)C

InChI

InChI=1S/C20H21N3O5/c1-12-3-5-16-14(9-19(25)28-20(16)13(12)2)11-22-18-10-15(23(26)27)4-6-17(18)21-7-8-24/h3-6,9-10,21-22,24H,7-8,11H2,1-2H3