6,7-dimethyl-4-[[(3-nitrophenyl)amino]methyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[(3-nitrophenyl)amino]methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[(3-nitroanilino)methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[(3-nitroanilino)methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(3-nitroanilino)methyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[(3-nitroanilino)methyl]coumarin Formula: C18H16N2O4 MolecularWeight: 324.33064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H16N2O4/c1-11-6-16-13(8-18(21)24-17(16)7-12(11)2)10-19-14-4-3-5-15(9-14)20(22)23/h3-9,19H,10H2,1-2H3