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ethyl 7-nitro-1-(2-oxidanylidenepropyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

ethyl 7-nitro-1-(2-oxidanylidenepropyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name:ethyl 7-nitro-1-(2-oxidanylidenepropyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
Openeye Name:ethyl 1-acetonyl-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate
CAS Name:7-nitro-1-(2-oxopropyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester
IUPAC Name:ethyl 7-nitro-1-(2-oxopropyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
Traditional Name:1-acetonyl-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester
Formula: C15H18N2O5
MolecularWeight: 306.31382
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1CC(=O)C)C=C(C=C2)[N+](=O)[O-]


Isomeric SMILES

CCOC(=O)N1CCC2=C(C1CC(=O)C)C=C(C=C2)[N+](=O)[O-]


InChI

InChI=1S/C15H18N2O5/c1-3-22-15(19)16-7-6-11-4-5-12(17(20)21)9-13(11)14(16)8-10(2)18/h4-5,9,14H,3,6-8H2,1-2H3


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