(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H26N2O6 MolecularWeight: 450.48374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C25H26N2O6/c1-15(2)19-13-20-18(12-24(28)33-23(20)10-16(19)3)14-32-25(29)17-6-7-21(22(11-17)27(30)31)26-8-4-5-9-26/h6-7,10-13,15H,4-5,8-9,14H2,1-3H3