1-(1,3-benzodioxol-5-yl)-3-[(4-chloranyl-3-nitro-phenyl)amino]propan-1-one

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[(4-chloranyl-3-nitro-phenyl)amino]propan-1-one Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(4-chloro-3-nitro-anilino)propan-1-one CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)-1-propanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)propan-1-one Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(4-chloro-3-nitro-anilino)propan-1-one Formula: C16H13ClN2O5 MolecularWeight: 348.73782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CCNC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CCNC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN2O5/c17-12-3-2-11(8-13(12)19(21)22)18-6-5-14(20)10-1-4-15-16(7-10)24-9-23-15/h1-4,7-8,18H,5-6,9H2