(4S)-2-azanyl-4-(4-dimethylaminophenyl)-3-nitro-4,6,7,8-tetrahydrochromen-5-one

Systemtic Name: (4S)-2-azanyl-4-(4-dimethylaminophenyl)-3-nitro-4,6,7,8-tetrahydrochromen-5-one Openeye Name: (4S)-2-amino-4-(4-dimethylaminophenyl)-3-nitro-4,6,7,8-tetrahydrochromen-5-one CAS Name: (4S)-2-amino-4-(4-dimethylaminophenyl)-3-nitro-4,6,7,8-tetrahydro-1-benzopyran-5-one IUPAC Name: (4S)-2-amino-4-(4-dimethylaminophenyl)-3-nitro-4,6,7,8-tetrahydrochromen-5-one Traditional Name: (4S)-2-amino-4-(4-dimethylaminophenyl)-3-nitro-4,6,7,8-tetrahydrochromen-5-one Formula: C17H19N3O4 MolecularWeight: 329.35046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2C3=C(CCCC3=O)OC(=C2[N+](=O)[O-])N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H]2C3=C(CCCC3=O)OC(=C2[N+](=O)[O-])N

InChI

InChI=1S/C17H19N3O4/c1-19(2)11-8-6-10(7-9-11)14-15-12(21)4-3-5-13(15)24-17(18)16(14)20(22)23/h6-9,14H,3-5,18H2,1-2H3/t14-/m0/s1