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3-oxidanylidenebutan-2-yl 4-(cyclopropylamino)-3-nitro-benzoate

3-oxidanylidenebutan-2-yl 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name:3-oxidanylidenebutan-2-yl 4-(cyclopropylamino)-3-nitro-benzoate
Openeye Name:(1-methyl-2-oxo-propyl) 4-(cyclopropylamino)-3-nitro-benzoate
CAS Name:4-(cyclopropylamino)-3-nitrobenzoic acid 3-oxobutan-2-yl ester
IUPAC Name:3-oxobutan-2-yl 4-(cyclopropylamino)-3-nitrobenzoate
Traditional Name:4-(cyclopropylamino)-3-nitro-benzoic acid (2-keto-1-methyl-propyl) ester
Formula: C14H16N2O5
MolecularWeight: 292.28724
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]


Isomeric SMILES

CC(C(=O)C)OC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]


InChI

InChI=1S/C14H16N2O5/c1-8(17)9(2)21-14(18)10-3-6-12(15-11-4-5-11)13(7-10)16(19)20/h3,6-7,9,11,15H,4-5H2,1-2H3


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