3-[(2Z)-2-[4-(1,3-benzodioxol-5-yl)butan-2-ylidene]hydrazinyl]benzoic acid

Systemtic Name: 3-[(2Z)-2-[4-(1,3-benzodioxol-5-yl)butan-2-ylidene]hydrazinyl]benzoic acid Openeye Name: 3-[(2Z)-2-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]hydrazino]benzoic acid CAS Name: 3-[(2Z)-2-[4-(1,3-benzodioxol-5-yl)butan-2-ylidene]hydrazinyl]benzoic acid IUPAC Name: 3-[(2Z)-2-[4-(1,3-benzodioxol-5-yl)butan-2-ylidene]hydrazinyl]benzoic acid Traditional Name: 3-[(N'Z)-N'-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]hydrazino]benzoic acid Formula: C18H18N2O4 MolecularWeight: 326.34652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=CC=CC(=C1)C(=O)O)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C/C(=N/NC1=CC=CC(=C1)C(=O)O)/CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H18N2O4/c1-12(19-20-15-4-2-3-14(10-15)18(21)22)5-6-13-7-8-16-17(9-13)24-11-23-16/h2-4,7-10,20H,5-6,11H2,1H3,(H,21,22)/b19-12-