(1-oxidanylidene-1-phenylazanyl-butan-2-yl) 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-butan-2-yl) 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: 1-(phenylcarbamoyl)propyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid (1-anilino-1-oxobutan-2-yl) ester IUPAC Name: (1-anilino-1-oxobutan-2-yl) 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid 1-(phenylcarbamoyl)propyl ester Formula: C18H16N2O7 MolecularWeight: 372.32884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O7/c1-2-14(17(21)19-11-6-4-3-5-7-11)27-18(22)12-8-15-16(26-10-25-15)9-13(12)20(23)24/h3-9,14H,2,10H2,1H3,(H,19,21)