tert-butyl N-[(E)-[4-(1,3-benzodioxol-5-ylamino)-4-oxidanylidene-butan-2-ylidene]amino]carbamate

Systemtic Name: tert-butyl N-[(E)-[4-(1,3-benzodioxol-5-ylamino)-4-oxidanylidene-butan-2-ylidene]amino]carbamate Openeye Name: tert-butyl N-[(E)-[3-(1,3-benzodioxol-5-ylamino)-1-methyl-3-oxo-propylidene]amino]carbamate CAS Name: N-[(E)-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E)-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]amino]carbamate Traditional Name: N-[(E)-[3-(1,3-benzodioxol-5-ylamino)-3-keto-1-methyl-propylidene]amino]carbamic acid tert-butyl ester Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)OC(C)(C)C)CC(=O)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

C/C(=N\NC(=O)OC(C)(C)C)/CC(=O)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H21N3O5/c1-10(18-19-15(21)24-16(2,3)4)7-14(20)17-11-5-6-12-13(8-11)23-9-22-12/h5-6,8H,7,9H2,1-4H3,(H,17,20)(H,19,21)/b18-10+