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ethyl 5-nitro-1-(3-oxidanylidenebutan-2-yl)-1H-isoquinoline-2-carboxylate

ethyl 5-nitro-1-(3-oxidanylidenebutan-2-yl)-1H-isoquinoline-2-carboxylate

Systemtic Name:ethyl 5-nitro-1-(3-oxidanylidenebutan-2-yl)-1H-isoquinoline-2-carboxylate
Openeye Name:ethyl 1-(1-methyl-2-oxo-propyl)-5-nitro-1H-isoquinoline-2-carboxylate
CAS Name:5-nitro-1-(3-oxobutan-2-yl)-1H-isoquinoline-2-carboxylic acid ethyl ester
IUPAC Name:ethyl 5-nitro-1-(3-oxobutan-2-yl)-1H-isoquinoline-2-carboxylate
Traditional Name:1-(2-keto-1-methyl-propyl)-5-nitro-1H-isoquinoline-2-carboxylic acid ethyl ester
Formula: C16H18N2O5
MolecularWeight: 318.32452
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=CC2=C(C1C(C)C(=O)C)C=CC=C2[N+](=O)[O-]


Isomeric SMILES

CCOC(=O)N1C=CC2=C(C1C(C)C(=O)C)C=CC=C2[N+](=O)[O-]


InChI

InChI=1S/C16H18N2O5/c1-4-23-16(20)17-9-8-12-13(15(17)10(2)11(3)19)6-5-7-14(12)18(21)22/h5-10,15H,4H2,1-3H3


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