6-chloranyl-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-7-ethyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-7-ethyl-chromen-2-one Openeye Name: 6-chloro-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-7-ethyl-chromen-2-one CAS Name: 6-chloro-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-7-ethylchromen-2-one Traditional Name: 6-chloro-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-7-ethyl-coumarin Formula: C17H16ClN3O4 MolecularWeight: 361.77964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C17H16ClN3O4/c1-4-11-5-15-13(7-14(11)18)12(6-16(22)25-15)8-20-10(3)17(21(23)24)9(2)19-20/h5-7H,4,8H2,1-3H3