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(1-cyanoindolizin-2-yl)methyl 4-methyl-3-nitro-benzoate

(1-cyanoindolizin-2-yl)methyl 4-methyl-3-nitro-benzoate

Systemtic Name:(1-cyanoindolizin-2-yl)methyl 4-methyl-3-nitro-benzoate
Openeye Name:(1-cyanoindolizin-2-yl)methyl 4-methyl-3-nitro-benzoate
CAS Name:4-methyl-3-nitrobenzoic acid (1-cyano-2-indolizinyl)methyl ester
IUPAC Name:(1-cyanoindolizin-2-yl)methyl 4-methyl-3-nitrobenzoate
Traditional Name:4-methyl-3-nitro-benzoic acid (1-cyanoindolizin-2-yl)methyl ester
Formula: C18H13N3O4
MolecularWeight: 335.31352
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N)[N+](=O)[O-]


Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N)[N+](=O)[O-]


InChI

InChI=1S/C18H13N3O4/c1-12-5-6-13(8-17(12)21(23)24)18(22)25-11-14-10-20-7-3-2-4-16(20)15(14)9-19/h2-8,10H,11H2,1H3


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