6-ethyl-4-[[(2-methyl-3-nitro-phenyl)amino]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-ethyl-4-[[(2-methyl-3-nitro-phenyl)amino]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[(2-methyl-3-nitro-anilino)methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[(2-methyl-3-nitroanilino)methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[(2-methyl-3-nitroanilino)methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[(2-methyl-3-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/c1-3-12-7-14-13(8-19(23)26-18(14)9-17(12)22)10-20-15-5-4-6-16(11(15)2)21(24)25/h4-9,20,22H,3,10H2,1-2H3