3-nitro-4-(propylamino)-4a,8a-dihydrochromen-2-one

Systemtic Name: 3-nitro-4-(propylamino)-4a,8a-dihydrochromen-2-one Openeye Name: 3-nitro-4-(propylamino)-4a,8a-dihydrochromen-2-one CAS Name: 3-nitro-4-(propylamino)-4a,8a-dihydro-1-benzopyran-2-one IUPAC Name: 3-nitro-4-(propylamino)-4a,8a-dihydrochromen-2-one Traditional Name: 3-nitro-4-(propylamino)-4a,8a-dihydrochromen-2-one Formula: C12H14N2O4 MolecularWeight: 250.25056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C(=O)OC2C1C=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=C(C(=O)OC2C1C=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O4/c1-2-7-13-10-8-5-3-4-6-9(8)18-12(15)11(10)14(16)17/h3-6,8-9,13H,2,7H2,1H3