6-ethyl-4-[[(2-methyl-5-nitro-phenyl)amino]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-ethyl-4-[[(2-methyl-5-nitro-phenyl)amino]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[(2-methyl-5-nitro-anilino)methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[(2-methyl-5-nitroanilino)methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[(2-methyl-5-nitroanilino)methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[(2-methyl-5-nitro-anilino)methyl]coumarin Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC3=C(C=CC(=C3)[N+](=O)[O-])C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC3=C(C=CC(=C3)[N+](=O)[O-])C)O

InChI

InChI=1S/C19H18N2O5/c1-3-12-6-15-13(7-19(23)26-18(15)9-17(12)22)10-20-16-8-14(21(24)25)5-4-11(16)2/h4-9,20,22H,3,10H2,1-2H3