7-methyl-4-[[(3-nitrophenyl)amino]methyl]-6-propan-2-yl-chromen-2-one

Systemtic Name: 7-methyl-4-[[(3-nitrophenyl)amino]methyl]-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[(3-nitroanilino)methyl]chromen-2-one CAS Name: 7-methyl-4-[(3-nitroanilino)methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(3-nitroanilino)methyl]-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[(3-nitroanilino)methyl]coumarin Formula: C20H20N2O4 MolecularWeight: 352.3838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CNC3=CC(=CC=C3)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CNC3=CC(=CC=C3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C20H20N2O4/c1-12(2)17-10-18-14(8-20(23)26-19(18)7-13(17)3)11-21-15-5-4-6-16(9-15)22(24)25/h4-10,12,21H,11H2,1-3H3