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

Systemtic Name: 6-ethyl-4-[[(3-nitrophenyl)amino]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[(3-nitroanilino)methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[(3-nitroanilino)methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[(3-nitroanilino)methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[(3-nitroanilino)methyl]coumarin Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5/c1-2-11-6-15-12(7-18(22)25-17(15)9-16(11)21)10-19-13-4-3-5-14(8-13)20(23)24/h3-9,19,21H,2,10H2,1H3