3-[(2,2,3-trimethyl-6-nitro-3-oxidanyl-4H-chromen-4-yl)amino]cyclopent-2-en-1-one

Systemtic Name: 3-[(2,2,3-trimethyl-6-nitro-3-oxidanyl-4H-chromen-4-yl)amino]cyclopent-2-en-1-one Openeye Name: 3-[(3-hydroxy-2,2,3-trimethyl-6-nitro-chroman-4-yl)amino]cyclopent-2-en-1-one CAS Name: 3-[(3-hydroxy-2,2,3-trimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl)amino]-1-cyclopent-2-enone IUPAC Name: 3-[(3-hydroxy-2,2,3-trimethyl-6-nitro-4H-chromen-4-yl)amino]cyclopent-2-en-1-one Traditional Name: 3-[(3-hydroxy-2,2,3-trimethyl-6-nitro-chroman-4-yl)amino]cyclopent-2-en-1-one Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])NC3=CC(=O)CC3)(C)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])NC3=CC(=O)CC3)(C)O)C

InChI

InChI=1S/C17H20N2O5/c1-16(2)17(3,21)15(18-10-4-6-12(20)8-10)13-9-11(19(22)23)5-7-14(13)24-16/h5,7-9,15,18,21H,4,6H2,1-3H3