[1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl] 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: 1-[(4-fluorophenyl)carbamoyl]propyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [1-(4-fluoroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-fluoroanilino)-1-oxobutan-2-yl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid 1-[(4-fluorophenyl)carbamoyl]propyl ester Formula: C18H15FN2O7 MolecularWeight: 390.319303

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C18H15FN2O7/c1-2-14(17(22)20-11-5-3-10(19)4-6-11)28-18(23)12-7-15-16(27-9-26-15)8-13(12)21(24)25/h3-8,14H,2,9H2,1H3,(H,20,22)